Compiled Abstracts

21 April 2011

Green Center

Colorado School of Mines

2

Schedule of Events

21st Annual GSA Research Fair

Thursday, April 21, 2011 Green Center

7:30-9:00 AM. Check-in and setup for morning poster presenters (Lobby).

7:30-8:00 AM. Check-in for morning oral presenters (Lobby).

8:00-3:00 PM. Oral presentations (Petroleum).

9:00-11:00 AM. Morning poster session (Lobby).

11:00-1:00 PM. Lunch (Friedhoff Hall).

11:30-1:00 PM. Check-in and setup for afternoon poster presenters (Lobby).

1:00-3:00 PM. Afternoon poster session (Lobby).

3:00-5:00 PM. Awards reception with cheese and wine (Friedhoff)

3:30 PM. Awards presentation (Friedhoff)

3

Schedule of Events

21st Annual GSA Research Fair

2010-2011 GSA Officers

President ~ Zach Aman

V.P. of Communications ~ Cericia Martinez

V.P. of International Students ~ Vasilisa Nekhorosheva

Academic Chair ~ Erich Hoover

Treasurer ~ Mike Eyser

Social Chairs ~ Andrea Ham, Cory Jensen

Department Representatives

Chemical Engineering ~ Eric Webb

Chemistry and Geochemistry ~ Patrick Eduafo

Economics and Business ~ Jason Kauffman

Engineering ~ Amy Richards

Environmental Science ~ Katherine Mouzakis

Geology and Geological Engineering ~ Jessica Matthews

Geophysics ~ Karoline Bohlen

LAIS ~ Benjamin Teschner

Mathematics and Computer Science ~ Doug Hakkarinen

Metallurgy and Materials Science ~ Will Garrett

Mining Engineering ~ Elizabeth Wachel

Petroleum Engineering ~ Justin Cremer

Physics ~ Nathan Greeney

We give our gratitude and thanks to the judges and

volunteers, for their time and effort in making the 2011

Research Fair a great success!

4

List of Abstracts Oral Presentations .............................................................................................................................................. 12

Shear thickening and changes in particle structure of chemical mechanical polishing slurries ........................... 13

Presenter: Nathan Crawford

Optical Alignment Deformation Spectroscopy for Measuring the Deformability of Human Erythrocytes......... 14

Presenter: Kevin Roth

Detection and characterization of engineered nanomaterials – key tools for understanding environmental

chemistry and dose metrics................................................................................................................................... 16

Presenter: Denise Mitrano

Protecting Investments, Profits, and Personnel..................................................................................................... 17

Presenter: Carole Ramsay

Effects of Temperature on Hydraulic Fracturing in Impermeable Rocks............................................................. 18

Presenter: Dharmendra Kumar

Enhanced Microbiological Generation of Methane from Coal............................................................................. 19

Presenter: Lisa Gallagher

Experimental and Numerical Evaluation of Volatile Organic Contaminant Source Zones for Assessment of the

Soil Vapor-to-Indoor Air Exposure Pathway ....................................................................................................... 20

Presenter: Benjamin Petri

Next generation water treatment for effective resource reclamation and reuse.................................................... 22

Presenter: David Vuono

Evaluating the role of normal fault growth and seal development on reservoir permeability at Lost Creek deposit

............................................................................................................................................................................... 24

Presenter: Sophie Hancock

Increasing Seismic Resolution by Post-stack Processing Procedures in Postle Field, Oklahoma........................ 25

Presenter: Mohsen Minaei

Advantages of shear wave seismic in Morrow sandstone detection..................................................................... 26

Presenter: Paritosh Singh

Global Expansion of American Energy Multinationals........................................................................................ 27

Presenter: Anna Fedoseeva

Ceramic microchannel reactor SOFC applications............................................................................................... 29

Presenter: Danielle Murphy

Gas Transport and Internal Reforming Chemistry in SOFC Anode Supports and Structures.............................. 31

Presenter: Amy Richards

Comparison of Alluvial, Colluvial, Glacial, and Debris Flow Deposits Using Geotechnical and Geological

Characterization, Durango and Montrose, Colorado ............................................................................................ 33

5

Presenter: Nathan Swanson

The Steady-State Distribution of the SLAW Mobility Model.............................................................................. 34

Presenter: Aarti Munjal

An Experimental Study for Investigating the Stress Dependence of Permeability in Sandstones and Carbonates

............................................................................................................................................................................... 35

Presenter: Vladimir Petunin

New Stochastic Approach to Construct Porous Media Geometry Models and Simulation of Non-Darcy Flows 36

Presenter: Feng Xiao

Morning Poster Presentations ........................................................................................................................... 37

Semiconducting Nanoparticle Functionalization for Application in Organic Photovoltaic Devices ................... 38

Presenter: Nate Bade

Understanding Hydrate Plug Formation from High Water Cut Systems With a Four Inch Flowloop................. 39

Presenter: Sanjeev Joshi

The Effect of EDTA on Hydrogen Permeation in Pd Composite Membranes..................................................... 40

Presenter: Amanda Lewis

Biophysical Changes to Lipid Bilayers by the Addition of Dendritic Amphiphile Molecules ............................ 42

Presenter: Riya Muckom

Building coagulation and platelet activity into microfluidic blood flow assays................................................... 43

Presenter: Abimbola Onasoga

PECVD synthesis of hybrid organic-inorganic nanolaminates ............................................................................ 44

Presenter: Rakhi Patel

Understanding the Role of Fibrin Hydrogel Assembly on Blood Clot Transport ................................................ 46

Presenter: Adam Wufsus

Microbial Carbon Diagenesis Within Contrasting Deep Sea Antarctic Sediments.............................................. 47

Presenter: Stephanie Carr

Photocatalytic Properties of Flower-like ZnO Nanostructures............................................................................. 48

Presenter: Nick Linck

Heteroaggregation between quantum dots and natural nanoparticles in environmental conditions..................... 49

Presenter: Manuel Montano

Geochemistry and measurement of aqueous arsenic and uranium at a field site undergoing stimulated

bioreduction .......................................................................................................................................................... 50

Presenter: Valerie Stucker

Single Sensor Fault Detection for Wind Turbines: Design and Comparison of Model-based Schemes.............. 51

Presenter: Fatima Azzahra El Azzouzi

6

Progress Toward Inkjet Deposition of Segmented-in-Series Solid-Oxide Fuel Cell Architectures..................... 52

Presenter: Nicolaus Faino

Finding Primes in Conics...................................................................................................................................... 53

Presenter: Richard Farnsworth

Planning Microgrid Topologies Considering Reliability, Cost, and the Impact of Plug-in Hybrid Vehicles ...... 54

Presenter: Julieta Giraldez

Development of Soil Stiffness Measuring Device for Pad Foot Roller................................................................ 55

Presenter: Shawn Kimmel

Ceramic Microchannel Reactor for Fischer-Tropsch Synthesis ........................................................................... 56

Presenter: Margarite Parker

Solving the Exact Cover Problem Using Convex Optimization........................................................................... 57

Presenter: Alejandro Weinstein

Scale effect on permeability of fracture rock........................................................................................................ 58

Presenter: Dong Joon Youn

Polymer-enhanced remediation of VOCs in heterogeneous aquifers ................................................................... 59

Presenter: Sean Davenport

Minimizing environmental footprint of mineral recovery operation using membrane distillation crystallization60

Presenter: Kerri Hickenbottom

Biotransformation of multiple nitrosamines by a conserved microbial oxygenase.............................................. 62

Presenter: Carissa Homme

Bioassay for sulfate-reduction potential and toxicity of organic substrates ......................................................... 63

Presenter: Susana Macias-Marquez

Identifying Mineral Schemes for Aquifer Restoration After Uranium in-situ Recovery ..................................... 64

Presenter: Alejandra Tarrell

Integrated 3D Reservoir Model of the Devonian Bakken Formation, Williston Basin: Elm Coulee Field,

Richland, Montana................................................................................................................................................ 66

Presenter: Adrian Almanza

Mineral Replacement During Prograde and Retrograde Evolution of the Cerro Jumil Gold Skarn Deposit,

Morelos, Mexico ................................................................................................................................................... 68

Presenter: Jeffrey Edelen

Stratigraphy, Diagenesis and Fracture Distribution of the Three Forks Formation in MT, WY and SD............. 69

Presenter: Vasilisa Nekhorosheva

New Strategies for Developing Vs30 Maps.......................................................................................................... 71

Presenter: Leslie Godfrey

Elastic Properties of Hydrate-Bearing Sediment .................................................................................................. 72

Presenter: Marisa Rydzy

7

Reservoir Characterization using Bandwidth Extended Seismic Data in Delhi Field, LA .................................. 73

Presenter: Sidra Shahid

Relevance of Desorption and Mineral-Dissolution Kinetics in Aquifer Metal Transport after Potential CO2

Leakage ................................................................................................................................................................. 75

Presenter: Lindsay Bearup

Reducing hydrograph uncertainty through subsurface characterization............................................................... 77

Presenter: Steven Meyerhoff

The bioaccumulation and uptake kinetics of a metal oxy-anion by the freshwater bivalve, Corbicula fluminea 78

Presenter: Leigh Simmons

Propagating uncertainty from the subsurface to the atmosphere using conditional stochastic groundwater-to-

atmosphere simulations......................................................................................................................................... 79

Presenter: John Williams

Matrix Multiplication on GPUs with On-line Fault Tolerance............................................................................. 80

Presenter: Chong Ding

Measuring the Impact of a High School Intervention on Students’ Attitudes in Information Technology:

Validation and Use of an Attitude Survey ............................................................................................................ 81

Presenter: Anna Forssen

Near-real-time Analysis Algorithm for REACTS ................................................................................................ 82

Presenter: Douglas Hakkarinen

Algorithm-Based Recovery Scheme for Extreme Scale Computing.................................................................... 83

Presenter: Hui Liu

Enabling Distributed Building Control With Wireless Sensor Networks ............................................................ 84

Presenter: Alan Marchiori

Developing a Wireless Device to Monitor Human Traffic Through Lift-Served Backcountry Access Gates..... 85

Presenter: Marc Rubin

Normal Mode Solution of the Elastic Pekeris Waveguide Problem with Comparisons Against Laboratory Data

............................................................................................................................................................................... 86

Presenter: Joseph Schneiderwind

IMAGINE: Intelligent Monitoring and Geophysical INspection of Embankment dams ..................................... 87

Presenter: Kerri Stone

Green Carpeting from Novel Biobased Plastics ................................................................................................... 88

Presenter: Daniel Harrison

Development of a Dynamic Atom Probe Tomography System ........................................................................... 89

Presenter: Rita Kirchhofer

Characterization of a Composite Ceramic Membrane Reactor for Fuel Processing. ........................................... 90

Presenter: Anthony Manerbino

Extreme value statistical analysis to determine the endurance limit of a 1045 induction hardened steel alloy ... 92

8

Presenter: Andrew Nissan

Measurement of Explosive Properties in Alternative Mixes of ANFO................................................................ 93

Presenter: Christoph Hurley

Investigations of Heavy Foam Properties for Deep water Drilling ...................................................................... 95

Presenter: Hope Chunlei Liu

Rheological Properties of Xanthan/Borate Gel System........................................................................................ 96

Presenter: Mehdi Mokhtari

Iterative Coupled Experimental-Numerical Evaluation of Dispersivity in Fractured Porous Media Using

Micromodel System.............................................................................................................................................. 98

Presenter: Milad Saidian

Preparation of microgel nanospheres and their application in EOR..................................................................... 99

Presenter: Lei Wang

Experimental Investigation of Biosurfactants Produced by Bacillus Species and their Potential for MEOR.... 100

Presenter: Saeed Zargari

Numerical Modeling of Drake Landing Borehole Thermal Energy Storage System......................................... 101

Presenter: Ronglei Zhang

Dynamics of Photo-Generated Carriers in Silicon Nanowires Through Time-Resolved Terahertz Spectroscopy

............................................................................................................................................................................. 102

Presenter: Matthew Bergren

Cross check of air fluorescence detectors at the Pierre Auger Cosmic Ray Observatory with CLF (Central Laser

Facility) laser test pulses fired at nearby active galactic nuclei.......................................................................... 103

Presenter: Michael Bratton

Macroscopic Quantum Tunneling of Solitons in Bose-Einstein Condensates ................................................... 104

Presenter: Joseph Glick

Neutron Detection and Cross-Talk Analysis using the GEANT4 Simulation Package ..................................... 105

Presenter: David Walter

Afternoon Poster Presentations ....................................................................................................................... 106

Biofuels: Implications for the Biocorrosion of Metallic Surfaces ...................................................................... 107

Presenter: Vivek Bharadwaj

Temperature, pressure, and concentration effects of xenon on lipid membranes............................................... 108

Presenter: Ryan Booker

The Reaction of Butenyl Radicals with Molecular Oxygen ............................................................................... 109

Presenter: Eric Kosovich

Understanding Jamming of Gas Hydrates Through Measurements and Modeling of 3D Particles ................... 110

9

Presenter: Patrick Lafond

Morphology Study of Perfluorosulfonic Acid Ionomer for PEM Fuel Cell Using Small Angle X-ray Scatterng

............................................................................................................................................................................. 111

Presenter: Yuan Liu

Computational evaluation of Novel and Selective Antagonists of Neuronal Nicotinic Acetylcholine Receptors

............................................................................................................................................................................. 112

Presenter: Conrad Rohleder

Phosphonic acid/zirconium phosphonate based proton exchange membrane .................................................... 113

Presenter: Gregory Schlichting

Novel Gas Phase Surface Passivation of Si NC.................................................................................................. 116

Presenter: Stephen Weeks

Amphiphilic block copolymers containing quaternary ammonium cation synthesized by living polymerization

............................................................................................................................................................................. 117

Presenter: Yifan Li

An Applied Method for Production of Biodiesel from Algae ............................................................................ 118

Presenter: Dongxu Li

Analysis of Engineered Nanoparticles by Single Particle Inductively Coupled Plasma Mass Spectrometry.... 119

Presenter: Robert Reed

Synthesis and Characterization of Polystyrene Bearing Guanidinium as Pendent Groups ................................ 120

Presenter: Yating Yang

Miniaturization and Control of a Mechanically Variable Stiffness Joint ........................................................... 121

Presenter: Daniel Cano

Investigation of Wind Turbine Gearbox Failures Using Condition Monitoring Data and Reliability Models .. 122

Presenter: Brendan Geels

Regulation Control for Grid Integration of Wind Turbines................................................................................ 123

Presenter: Yunho Jeong

Membrane Penetration in the Triaxial Test on Granular Soils ........................................................................... 124

Presenter: Stephanie LaCrue

Design and Construction of a Diagnostic Suite for Fundamental Studies of Pulsed Plasma Enhanced Chemical

Vapor Deposition ................................................................................................................................................ 125

Presenter: Chris Lange

Automatic Modulation Recognition for Spectrum Sensing using Nonuniform Compressive Samples............. 126

Presenter: Chia Wei Lim

Electronic structure of oxygen mono- and di-vacancies on the rutile (110) surface .......................................... 127

Presenter: Willie Maddox

From runways to spillways. The use of non-destructive inspection techniques in dam safety management:

lessons from the aircraft industry........................................................................................................................ 128

10

Presenter: Benjamin Lowry (Geology) and Minal Parekh

Direct Internal Fuel Reforming using Anode Gas Recycling in Tubular Solid Oxide Fuel Cells...................... 130

Presenter: Shay Robinson

A Design Methodology Based Process for Robotic Gripper Design.................................................................. 131

Presenter: David Streusand

Modeling the organization of viruses on templated substrates........................................................................... 132

Presenter: Dan Sullivan

Hot dry rock propped fracture propagation modeling in particle flow code (PFC)............................................ 133

Presenter: Ingrid Tomac

Dynamic Response of a Fluid-Saturated Soil ..................................................................................................... 134

Presenter: Nathan Toohey

LIDAR-based Advanced Feedforward Control For Wind Turbine Load Mitigation and Power Capture ......... 135

Presenter: Na Wang

Process Control for Low-Cost Electrochromic Film Production........................................................................ 136

Presenter: Maciej Zagrodzki

Tracking carbon cycling in biostimulated systems: effects on uranium bioreduction........................................ 137

Presenter: Martin Dangelmayr

Mixed-Integer Nonlinear Optimization of Water Reclamation processes for Operating Cost Minimization.... 138

Presenter: Richard Huggins

Investigation into Changes in Pore Networks in Caprocks undergoing Small-Scale Carbon Sequestration

Simulation Laboratory Experiments ................................................................................................................... 140

Presenter: Katherine Mouzakis

Membrane pretreatment of coalbed methane produced water: analysis of constituent rejection and downstream

water composition............................................................................................................................................... 141

Presenter: Colette Van Straaten

Water Treatment Applications for Novel Nanofiltration Membranes ................................................................ 142

Presenter: Andrew Wait

Construction of a Three Dimensional Subsurface Framework Model and Geospatial Infastructure of the Muddy

Creek Landslide Complex, Gunnison County, Colorado ................................................................................... 144

Presenter: Benjamin Lowry

Flexural Response to Sediment Erosion and Unloading at Valles Marineris, Mars........................................... 145

Presenter: Brian Davis

Time-lapse Geophysical Monitoring for Hydraulic Assessments of Embankment Dams and Levees: Detecting

and Monitoring Internal Erosion......................................................................................................................... 146

Presenter: Scott Ikard

Release of metals in freshwater aquifers exposed to leakage of CO2 ................................................................ 147

Presenter: Assaf Wunsch

11

Political Risk Assessment of Syria ..................................................................................................................... 148

Presenter: Noelle Tarabulski

The Emerging Political and Economic Importance of the Ghanaian Small-scale Mining Community............. 149

Presenter: Ben Teschner

Soft Error Detection and Recovery for High Performance Linpack................................................................... 150

Presenter: Teresa Davies

Localization in a Limited Linear Environment................................................................................................... 151

Presenter: Nicholas Gerstle

Optimizing Process-to-Core Mappings for Two Dimensional Broadcast/Reduce on Multicore Architectures. 152

Presenter: Christer Karlsson

Effects of Collaborative Learning and Other Pedagogies on Recruitment and Retention of Women in

Undergraduate Computer Science at CSM......................................................................................................... 154

Presenter: Julie Krause

Effect of Pre-Strain and Composition on Microstructural Evolution and Resulting Stress Rupture Life and

Ductility in INCONEL® 740 Series Superalloys ............................................................................................... 155

Presenter: Andrea Casias

Free Carrier Pump-probe Analysis of Carrier Recombination in Semiconductors ............................................ 156

Presenter: Ari Feldman

Structure-Property Relationships of Ni-Ti-Pt High Temperature Shape Memory Alloys ................................. 157

Presenter: Grant Hudish

Hot-wire Chemical Vapor Deposition of Tungsten Oxide Nanoparticles for Use in Energy Applications ....... 158

Presenter: Chi-Ping Li

Agent-Based Modeling: Diffusion of Innovation in The Mining Industry......................................................... 159

Presenter: Hendro Fujiono

Alkaline Leaching and Recovery of Uranium .................................................................................................... 161

Presenter: Erik Hunter

Numerical simulation of coupled processes for multiphase flow, rock deformation and heat transfer in enhanced

geothermal systems............................................................................................................................................. 162

Presenter: Perapon Fakcharoenphol

Hydrate Risk Assessment and Restart Procedure Optimization of an Offshore Well using a Transient Hydrate

Prediction Model................................................................................................................................................. 164

Presenter: Luis Zerpa

Experimental and Numerical Modeling of Double Displacement Oil Recovery in Fractured Carbonate

Reservoirs ........................................................................................................................................................... 165

Presenter: Ali Al-Sumaiti

12

Oral Presentations

13

Energy: Oral Morning A

Shear thickening and changes in particle structure of chemical mechanical polishing slurries

Presenter: Nathan Crawford

Degree Program: Doctorate Department: Chemical Engineering Advisor: Matthew Liberatore Chemical mechanical polishing (CMP) is a fundamental technology used in the semiconductor

manufacturing industry to polish and planarize a wide range of materials for the fabrication of

microelectronic devices (i.e., computer chips). The CMP slurry is a mixture of a colloidal abrasive, a

suspension fluid (usually water) and active chemicals that react with the material to be removed.

During the polishing process, the slurry will undergo shear rates in excess of 10^6 s^-1. Under this

extreme shear environment, it is hypothesized that individual slurry particles begin to interact and

collide with one another forming large agglomerates (≥0.5 μm) that cause the slurry to portray solid-

like behavior (shear thickening). These agglomerates trigger the formation of defects such as

scratches, gouges, pits, and corrosion during polishing. On the order of 10-15% of failed integrated

circuits can be linked to CMP induced defects which is estimated to be $4.5 to $9 billion of lost

production per year.

Our overall effort seeks to obtain a detailed understanding of the high shear rheological behavior of

CMP slurries as well as changes in particle characteristics, both temporary and permanent. Utilizing

high shear rheology to mimic the CMP process, the goal is to correlate shear thickening of the CMP

slurry to the formation of agglomerates (or hydroclusters). The slurries of interest are a concentrated

fumed silica suspension in water with added KOH for electrostatic stabilization at alkaline pH. A

controlled stress rheometer with a parallel plate geometry at small gaps measures the non-linear

rheological responses of the high solids slurry. Rheo-optical techniques were used to identify the

formation, shape, and size of agglomerates generated under shear. Flow field-flow fractionation with

single particle optical sensing were employed to size and quantify the relative number of large

particles (≥0.5 μm) produced from shearing experiments.

14

Earth: Oral Morning B

Optical Alignment Deformation Spectroscopy for Measuring the Deformability of Human Erythrocytes

Presenter: Kevin Roth

Degree Program: Doctorate Department: Chemical Engineering Advisor: David Marr and Keith Neeves Cell mechanical properties are a broad measure of cell viability that can be quantified experimentally

by measuring cell deformability. A convenient model system for studying the interplay between cell

health and cell physical characteristics is the human erythrocyte, or red blood cell (RBC). It is now

well known that the deformability of a RBC is decreased in a number of diseases including sickle cell

anemia, malaria, and diabetes. Available techniques to measure RBC deformability are either bulk or

at the individual cell level. Bulk techniques have the advantage that they are high-throughput, but

provide an averaged population deformability that can mask the presence of small populations of

diseased cells. Individual cell measurements, on the other hand, provide information at a single-cell

level but are extremely low-throughput in nature. Currently, there is no high-throughput method to

investigate the mechanical properties of populations of individual cells. To address this, we have

taken the first steps toward developing a high-throughput single cell method using optical alignment

deformation spectroscopy (OADS), where collisions between individual cells are used to induce

deformation. In this, optical trapping forces within microfluidic devices are used to align cells in a

noninvasive cellular manipulation on the microscale.

To demonstrate the utility of our approach, a linear optical trap was used to align two incoming RBCs

in a cross-flow geometry where hydrodynamic forces cause the cells to collide at the stagnation point

at the channel intersection. The resulting deformation was analyzed to obtain values for the change

in diameter of the major and minor axis of each cell. A simple Hookean spring model was used to

calculate the spring constant of the RBC, and our calculated value of 11.7 µN/m compares well with

literature values for elastic moduli of 2.4-11.3 µN/m [1], [2]. This shows that OADS has potential as

an accurate high-throughput cell property measurement technique, combining the benefits of bulk

measurement techniques with the advantages of individual cell investigation.

[1] J. Mills, et al., "Nonlinear elastic and viscoelastic deformation of the human red blood cell with

optical tweezers," in MCB-TECH SCIENCE PRESS- vol. 1, 2004, pp. 169-180.

15

[2] C. Li, et al., "Correlations between the experimental and numerical investigations on the

mechanical properties of erythrocyte by laser stretching," Ieee T Nanobiosci, vol. 7, pp. 80-90, Jan 1

2008.

16

Environment: Oral Morning C

Detection and characterization of engineered nanomaterials – key tools for understanding environmental chemistry and dose metrics

Presenter: Denise Mitrano

Degree Program: Doctorate Department: Chemistry & Geochemistry Advisor: James Ranville One of the most rapidly growing classes of nanoproducts are consumer materials that generate silver

ions or contain nanosilver; comprising over 20% of the commercial market. Despite the rapid

progress and early acceptance of nanotechnology, the potential for adverse effects to the biome has

not yet been established. The environmental prevalence of nanomaterials, particularly nanosilver, is

expected to increase substantially in the future. Thus, it is imperative to develop techniques capable

of determining key characteristics of nanosilver in complex media including, but not limited to,

simulated biological matrices, wastewater, and biological samples. Of the standard analytical

techniques that currently exist, few seem fully capable of determining the concentration, size, and

composition of this new class of emerging contaminant. Single particle ICP-MS (SP-ICP-MS), a novel

application of ICP-MS, may provide number, size, and composition data for colloids and nanoparticles

as small as smaller 40nm. Furthermore, the distinction can be made between dissolved and

nanoparticulate metal through a series of data manipulation steps. This differentiation is key in

determining fate, transport, and exposure scenarios in the natural environment as nano and dissolved

silver constituents have considerably different properties. This advantageous distinction is unique to

the capabilities of SP-ICP-MS. Subsequently this technique enables the detection of nano and

dissolved metals in various environmental and biological media at environmentally relevant (ppt)

concentrations, allowing for further investigation of the behavior of nanosilver in more complex

matrices. The validation and application of this analytical technique will result in a powerful tool in the

continuing research of metal nanoparticle behavior in both environmental and biological systems.

17

Energy: Oral Morning D

Protecting Investments, Profits, and Personnel

Presenter: Carole Ramsay

Degree Program: Doctorate Department: Economics & Business Advisor: Dr. Eggert Mining enterprises worldwide are seeing the bottom-line wisdom of proactively designing systems for

corporate social responsibility (CSR) to facilitate social license and minimize social risks. But, by

strategically designing economic development based tactics and then networking tactics together

firms can do even better. Too often firms get frustration, reactivity, and zero return on their CSR

investments for their efforts. Looking at new research and current standards, learn how to go

beyond compliance to create greater risk mitigation, avoid the frustrations of reactivity, gain control

and predictability while increasing the return on invested CSR dollars and improving social license.

18

Energy: Oral Morning E

Effects of Temperature on Hydraulic Fracturing in Impermeable Rocks

Presenter: Dharmendra Kumar

Degree Program: Doctorate Department: Engineering (Civil, EE, ME, Systems) Advisor: Dr. Marte Gutierrez Abstract

The paper presents a modification of two-dimensional hydraulic fracture models to account for

temperature changes for impermeable rocks (e.g., granite). The modified models simulate the hydro-

thermal fracturing processes in Enhanced Geothermal Systems (EGS), which are combination of

many complicated physical phenomenon, including, fracture opening and closure, fracture

propagation, flow of fluid and heat through the fracture and surrounding rocks. The hydraulic

fracturing models for an elastic media were modified to account for the relationship between fracture

aperture, length, volume, pressure and temperature distributions around the fracture. Two-

dimensional transient heat flow model was developed using the finite difference method. The thermal

induced fracture geometry changes were coupled with those from hydraulic fracturing geometry

changes. A parametric study was done to quantify the effects of differential cooling temperature of

reservoir rocks due to fluid injection on fracture geometry.

Keywords: Hydraulic fracturing, impermeable rocks, enhanced geothermal systems

19

Energy: Oral Morning F

Enhanced Microbiological Generation of Methane from Coal

Presenter: Lisa Gallagher

Degree Program: Doctorate Department: Environmental Science Advisor: Junko Munakata Marr Vast reserves of coal represent a large source of energy in the United States. Research has

demonstrated that microorganisms are capable of converting coal to methane under varying

laboratory conditions, via a process known as methanogenesis. Stimulation of coalbed methane

formation is an important process to understand because of its economic and environmental

implications. Methane, the principal component of natural gas, is harnessed for use as an energy

source. However, active coalbed methane wells are typically depleted within eight years and the coal

is often not mined because it is not economically viable. Thus, converting uneconomical coal to

natural gas could provide a means to extract valuable energy resources that would otherwise remain

untapped. Additionally, if the process of coalbed methane formation is made more efficient, the

dewatering step of the extraction process could be avoided, protecting surface and groundwater

quality.

The conversion of a complex substrate, such as coal, to methane requires a diverse microbial

community that can be influenced by a wide range of environmental conditions. In order to better

understand the process of biogenic methane formation, this study aims to characterize native

microbial communities responsible for anaerobic methane production from coal. Coal microcosm

experiments are ongoing and methane production is being monitored by gas chromatography of

headspace gas. A combination of 16S rDNA sequencing and quantitative PCR is being utilized to

characterize the microbial communities and how they change throughout the incubation timeframe

and are affected by different amendments. Results demonstrate the ability of a native microbial

consortium to produce methane under anaerobic conditions, utilizing coal as a sole carbon source.

Characterization of this consortium and comparison to other microbial communities will be presented.

20

Environment: Oral Morning G

Experimental and Numerical Evaluation of Volatile Organic Contaminant Source Zones for Assessment of the Soil Vapor-to-Indoor Air Exposure Pathway

Presenter: Benjamin Petri

Degree Program: Doctorate Department: Environmental Science Advisor: Dr. Tissa Illangasekare As a result of accidental spills and disposal practices of the past, volatile organic contaminants

(VOCs) have been frequently detected in shallow soil and groundwater systems. Where these

contamination sources occur in populated areas, the potential exists for these contaminants to

partition into soil air and enter into occupied homes and businesses through foundation cracks and

crawl spaces. This exposure pathway, termed “vapor intrusion” (VI), represents a potential threat to

human health, and can require remedial action to reduce the risk to building occupants. In order to

determine where these contaminant sources may pose a risk to building inhabitants, remediation

professionals rely on screening models to determine if more aggressive field sampling, monitoring or

remediation may be required. However, the processes that govern vapor intrusion from source zones

are not well understood or quantified. As a result, the screening models make many simplifying

assumptions about the transport of vapors in the shallow subsurface, and discrepancies between

model predictions and measurements from the field are common. This may result in either the

overestimation or underestimation of the health risk posed by the VI pathway. The objective of this

study is to improve the understanding of vapor generation from source zones, to anticipate and

reduce these discrepancies, and suggest improved modeling approaches to enable more informed

and effective screening of this exposure pathway.

The approach to investigate this problem has three components. First, VOC volatilization rates are

experimentally determined in a small, 2-D laboratory sand tank apparatus (30 cm x 15 cm x 2.5 cm).

This system represents a mock source zone that may be encountered in a field, but under controlled

conditions and allows for small-scale phenomena to be observed. Experiments are conducted using

trichloroethylene as a nonaqueous phase liquid (NAPL) source in an unsaturated sand pack, and with

air flowing at a slow rate through the tank. Mass transfer behavior is determined from measurements

of TCE concentrations and effluent flux. Second, the data is compared to existing models and

methods of predicting mass transfer. The numerical modeling is accomplishing using the software

21

COMSOL Multiphysics (version 3.5a). Where discrepancies are found, the reasons for these

discrepancies are explored and improved methods of mass transfer prediction are proposed. Finally,

to test the refined model and up-scaling approaches, another experiment will be conducted in a large

intermediate scale sand tank experiment (4.9 m x 1.2 m x 0.05 m), and compared to the refined

model.

22

Environment: Oral Morning H

Next generation water treatment for effective resource reclamation and reuse

Presenter: David Vuono

Degree Program: Doctorate Department: Environmental Science Advisor: Jorg Drewes Aging wastewater infrastructure and water scarcity due to urbanization, population growth and climate

change will require the integration of water treatment systems that are flexible, robust, and recover

the economical and ecological value of “wasted” resources. Next generation water treatment,

collection, and distribution systems will need to be designed as closed-loop systems that maximize

the recovery and reuse of water and nutrients (i.e., nitrogen and phosphorus) (Verstraete et at. 2009).

A decentralized water treatment approach may offer the solution to address our sustainable water

management needs.

Centralized wastewater treatment is economical for cities and towns, but require construction and

maintenance of extensive sewer collection systems (Mueler et al. 2008). Decentralized systems offer

several advantages, especially in rural and semi-urban areas. Decentralized water treatment can: 1)

reduce the magnitude and number of large point source discharge, 2) reduce the potential risk of

downstream pathogen and heavy metal contamination (Fane et al. 2005), 3) obviate the need for

construction and maintenance of extensive sewer collection systems, and 4) act as a local drought

tolerant water supply (Gikas et al 2009). A decentralized treatment approach also provides more

flexible reuse options. For example, reclaimed water can be tailored and used onsite for landscape

irrigation, groundwater recharge, stream flow augmentation, or household service water (e.g., toilet

flushing and irrigation).

While many decentralized treatment approaches exist, the sequencing batch reactor (SBR) and

membrane bioreactor (MBR) offer an existing track record of flexibility and robustness to perform on a

decentralized scale. The SBR is flexible in operation, capable of receiving a wide range of load

variations, and the treatment process can be easily manipulated to treat variable influent conditions.

The MBR utilizes membrane filtration instead of gravity separation (clarification) and can produce a

high quality effluent, making it a preferred option for onsite water reuse. By combining aspects of

both treatment systems, a novel flexible hybrid SBR-MBR treatment systems was developed by

23

Aqua-Aerobic Systems, Inc. and Koch Membrane systems, in collaboration with the Advanced Water

Technology Center (AQWATEC) at the Colorado School of Mines.

Here we examine the one-year operation of a full-scale (23 m3/day) prototype decentralized

sequencing batch membrane bioreactor (SBMBR), treating real domestic sewage serving a 400-unit

clustered student housing development at the Colorado School of Mines (Golden, CO). The objective

of this study was to optimize the system with respect to operational robustness, energy requirements,

and effluent water quality. Operational and environmental conditions will be presented. We use linear

regression and principle component analysis to analyze relationships between operational

parameters and water quality. Preliminary results suggest membrane performance is strongly

influenced by water temperature. We will introduce the potential for flexible and tailored water

treatment for seasonal and site-specific use. Further process development and operational

improvement will also be presented.

24

Earth: Oral Morning I

Evaluating the role of normal fault growth and seal development on reservoir permeability at Lost Creek deposit

Presenter: Sophie Hancock

Degree Program: Doctorate Department: Geology & Geological Engineering Advisor: Prof Hitzman The Lost Creek roll front uranium deposit occurs in the Eocene Battle Spring Formation, in the Great

Divide Basin, south-central Wyoming. The deposit consists of stacked roll fronts forming a three mile

trend, and contains small scale east-northeast-striking, steeply dipping (60-70°) normal faults which

cut to surface and tip out at shallow depths. Such minor structures are probably important in the

location and preservation of individual deposits, possibly localizing uranium by ponding,

chemical/physical trap, or by altering local hydraulic gradients. Fault displacement ranges from 10 to

100 feet with maximum displacement being less than stratigraphic bed thickness. The faults are

dominantly dip-slip normal faults with attached splays into the hanging wall down throwing the

intermediate wedge, creating asymmetric permeability. Groundwater flow is communicated

dominantly along strike and to a lesser degree across these faults. The host sediments are a sand-

dominated, moderately low mud system (maximum of 20-30% mud) which is the threshold for

hydraulically sealing faults to develop. Fractures associated with the faults contain smectite, with

minor chlorite, illite, kaolinite, and calcite. The stratigraphy and normal faults at Lost Creek have been

modeled in 3D from geophysical borehole logs, core, and surface resistivity profiling using Petra. The

Petra model reveals slip perpendicular fault corrugations extending down-dip and may correlate with

3D permeability variations. Fault plane mapping of juxtaposing lithologies combined with fault seal

analysis in Traptester have characterized the fault permeability. The models suggest that Lost Creek

faults were a first order control on uranium distribution, with gross sedimentary permeability less

important.

25

Earth: Oral Morning J

Increasing Seismic Resolution by Post-stack Processing Procedures in Postle Field, Oklahoma

Presenter: Mohsen Minaei

Degree Program: Doctorate Department: Geophysics Advisor: Thomas Davis The thickness of the producing sand layer in Postle field is below tuning thickness. In reflection

seismology, tuning happens when the ratio of seismic wavelength to bed thickness is equal to or

greater than four. When tuning happens, the amplitude of the overlying layer shows a linear

relationship with the thickness of the underlying layer (in this case, reservoir layer). This relationship

is used in studying thin reservoirs. However, to perform more sophisticated characterization of a thin

reservoir such as time lapse, that linear relationship is not enough and it is required to measure

reservoir characteristics directly. To see the reservoir layer, it is necessary to increase frequency

content of seismic data while keeping the noise level low at high frequencies. The current methods of

frequency enhancement in the industry cannot provide enough increase in the frequency content to

make the reservoir layer visible. In this study, I have created a workflow to increase the frequency

content of seismic data without introducing noise. The bandwidth extension procedure begins with a

zero-phase spiking deconvolution. This procedure increases the frequency content, but it tends to

decrease signal to noise ratio at high frequencies. To make sure that no incoherent noise is

extrapolated, the original dataset is split into seven frequency subsets using band pass filter. A mild

smoothing filter on each subset prepares them for extrapolation and removes incoherent noise. Then

sparse-spike deconvolution is applied on each subset separately. When the subsets are stacked back,

extrapolated noise is suppressed if any exist. Sparse-spike deconvolution can see very subtle

changes in the waveform that are related to thin layers. Furthermore, frequency splitting method

helps sparse-spike deconvolution detect spikes more effectively. Lastly, zero-phase spiking

deconvolution increases the power of those subtle spikes and makes them visible in the seismic

image. The workflow is linear, so the result is reversible. That is, if the high-frequency data are filtered

back to the original bandwidth, the result is the same as the original product. The final product of my

workflow has a flat spectrum while showing greater spatial and temporal resolution than the original

data.

26

Energy: Oral Morning K

Advantages of shear wave seismic in Morrow sandstone detection

Presenter: Paritosh Singh

Degree Program: Doctorate Department: Geophysics Advisor: Tom Davis The Upper Morrow sandstones in the western Anadarko Basin have been prolific oil producers for

more than five decades. Detection of Morrow sandstones is a major problem in the exploration of new

fields and the characterization of existing fields because they are often very thin and laterally

discontinuous. Until recently compressional wave data have been the primary resource for mapping

the lateral extent of Morrow sandstones. The success with compressional wave datasets is limited

because the acoustic impedance contrast between the reservoir sandstones and the encasing shales

is small. Here, we have performed full waveform modeling study to understand the Morrow sandstone

signatures on compressional wave (P-wave), converted-wave (PS-wave) and pure shear wave (S-

wave) gathers. The contrast in rigidity between the Morrow sandstone and surrounding shale causes

a strong seismic expression on the S-wave data. Morrow sandstone shows a distinct high amplitude

event in pure S-wave modeled gathers as compared to the weaker P- and PS-wave events. This

study shows the importance of shear waves for better imaging of Morrow sandstones. Modeling also

helps in understanding the adverse effect of interbed multiples (due to shallow high velocity anhydrite

layers) and side lobe interference effects at the Morrow level. Modeling tied with the field data

demonstrates that S-waves are more robust than P-waves in detecting the Morrow sandstone

reservoirs. This is confirmed by comparing the amplitude and impedance maps of P- and S-waves

from real seismic data. The present study encourages acquiring multicomponent seismic surveys

employing shear wave sources for identifying new drilling locations in Morrow sandstone reservoirs.

27

Energy: Morning Oral R

Global Expansion of American Energy Multinationals

Presenter: Anna Fedoseeva

Degree Program: Master's Department: LAIS Advisor: Kathleen J. Hancock In recent years, companies working in the energy sector have become or have claimed to become

more socially responsible. They follow the modern trend of developing corporate strategies for

responsible and sustainable development. Energy-related multinationals have been particularly active

in developing these programs.

This paper argues that if the energy multinationals claim to become more socially responsible, they

should hire more specialists to implement their corporate responsibility and community outreach

programs globally. In order to develop their operations globally, these multinational companies should

be able to analyze and acknowledge the political and socioeconomic climate of foreign countries.

Regional specialists are professionals who are able to conduct an assessment of a region and

contribute to development of social responsibility strategy of energy multinational companies.

Therefore, the first part of this research focuses on the analysis of academic concepts of corporate

responsibility. The second part of the paper focuses on hiring practices of energy MNC’s. The survey

will look for evidence to support the hypothesis that these multinationals have shown particular

interest in hiring regional specialists.

Academic definitions of corporate social responsibility (CSR) have been emerging since 1953 in the

works of social scientists. These ideas have evolved into a number of theories which lie at the core of

managerial decision-making. These conflicting theories have provided me with the reason for my

research project.

Having reviewed the literature on the role of regional specialists in energy multinationals, I was

unable to find any publications answering questions about the hiring practices in energy MNC’s. I

suspect that I could not find research on this point due to the possibility that it has been done but not

published, or this is a relatively new phenomenon in the energy sector that has not been studied. The

other reason for not finding this information might be that the duties of the regional specialists are

performed by the other employees of the companies which makes it hard to classify these skills as

one category of professional activities.

The survey will be taken via surveymonkey.com, where the survey questions are posted.

28

The criteria for selection of the companies include:

• US-based companies with subsidiaries abroad;

• Companies working in the oil, gas and mining industries;

• Oil and gas companies’ activities include: exploration, extraction, drilling, pumping, production,

refining, and retailing;

• Mining companies’ activities include: coal mining, metal ore mining, nonmetallic mineral mining

and quarrying.

29

Energy: Oral Afternoon L

Ceramic microchannel reactor SOFC applications

Presenter: Danielle Murphy

Degree Program: Doctorate Department: Engineering (Civil, EE, ME, Systems) Advisor: Neal Sullivan Effective operation of practical SOFC systems relies upon heat exchangers and chemical reactors. In

a SOFC system, a partial-oxidation reactor, a catalytic tail-gas combustor, and a cathode-air

preheating recuperator are separate unit processes. However, system efficiency can be improved

and costs reduced via process intensification, which combines unit processes. A ceramic

microchannel reactor is being developed to combine heat-exchanger and catalytic-reactor functions

for SOFC systems.

It is well known that microchannel heat exchangers and reactors can deliver very high performance in

small packages. Such heat exchangers are typically fabricated from metals using diffusion-bonding

processes. However, there are examples of ceramic systems, with ceramics offering some significant

advantages. The advantages include operation at very high temperature and in harsh chemical

environments. There are also potential advantages for applying ceramic-supported catalysts to the

ceramic reactor walls.

The microchannel reactor design is assisted by three-dimensional simulation implemented in

ANSYS/FLUENT. Models include the conjugate heat transfer between fluids and solid materials, and

are used to guide tradeoffs between reactor performance and requirements of the fabrication process.

The reactors are fabricated using a low-cost process called Pressure Laminated Integrated Structures

(PLISTM) that has been developed at CoorsTek, Inc. (Golden, CO, USA). Each layer is fabricated

with a near-net-shape pressing process and layers are laminated in the unfired “green” state. After

firing, a single hermetically sealed polycrystalline ceramic body is produced. The current reactors use

four layers, with two using a catalyst washcoat and the other two being non-catalytic. The reactor

body is 50 mm wide, 100 mm long and approximately 5 mm thick. The current reactors are fabricated

using 94% alumina.

Inert heat exchanger testing using balanced and unbalanced flow has been completed and a heat

exchanger effectiveness of up to 70% has been demonstrated. SEM imaging and BET /

chemisorption testing are utilized to evaluate the effectiveness of the support- and catalyst-fabrication

30

processes. A procedure for coating the inner channels of the reactor has been developed and

preliminary testing has been completed within the reactive channels of the heat exchanger.

31

Energy: Oral Afternoon M

Gas Transport and Internal Reforming Chemistry in SOFC Anode Supports and Structures

Presenter: Amy Richards

Degree Program: Doctorate Department: Engineering (Civil, EE, ME, Systems) Advisor: Neal Sullivan Solid-oxide fuel cells (SOFC) have generated interest recently due to their ability to efficiently convert

a broad range of hydrocarbon and biomass fuel sources into electricity. However, the propensity for

carbon-deposit formation and subsequent catalyst deactivation limits the operating conditions under

which traditional SOFCs may operate. Developers are taking many different approaches to solving

these problems. Numerous anode support materials and architectures are being developed and

tested, such as Ni-YSZ cermets, cermets with inert barrier layers, cermets with active catalyst layers,

nickel-free perovskite or copper anodes, and metal supports with anode functional layers. With

standard SOFC tests, however, it is difficult to discern specific information about an anode's gas

transport and catalytic activity properties, which are properties central to an anode's ability to operate

successfully on hydrocarbon or biomass fuels.

This study decouples anode chemistry processes from the electrochemistry processes occurring

during operation of an SOFC through the use of a unique experiment. In the Separated Anode

Experiment (SAE), a single SOFC anode channel is simulated by sealing an anode between two

ceramic manifolds into which flow channels have been machined. The assembly is placed into a

furnace and is heated to temperatures representative of SOFC operation (600-800C). Gases

representative of SOFC fuel streams are fed into the ``fuel channel'', while gas mixtures

representative of the products of electrochemistry (H2O and CO2) are fed into the ``electrolyte

channel''. Gases from these two channels are then free to cross-diffuse through the porous anode

support and participate in internal reforming reactions. Exhaust-gas compositions are measured with

a gas chromatograph and are used to infer details regarding the anode's gas transport and internal

reforming activity.

Interpretation and validation of the experimental results is aided through the use of a computational

model which incorporates channel gas flow, porous-media transport, and elementary heterogeneous

chemical kinetics. Both flow channels are modeled using steady-state, plug-flow assumptions. Porous

media transport is represented by the Dusty-Gas Model (DGM), which incorporates multicomponent

32

gas diffusion, Knudsen diffusion, and pressure-driven Darcy flow. The DGM uses material properties

which are quantified and input into the model. The validated model is also used as a tool for design

optimization of anode morphology.

In addition to advancing our fundamental knowledge of processes occurring within an anode structure,

these tools also allow for performance comparisons to be made between the various anode support

materials and architectures being developed. Two different support materials are compared in this

study; a more-traditional reaction-sintered Ni-YSZ anode support (CoorsTek, Inc.) and a porous metal

support. The computationally-developed design of a Ni-YSZ anode functional layer for the metal

support is also presented.

33

Earth: Oral Afternoon N

Comparison of Alluvial, Colluvial, Glacial, and Debris Flow Deposits Using Geotechnical and Geological Characterization, Durango and Montrose, Colorado

Presenter: Nathan Swanson

Degree Program: Master's Department: Geology & Geological Engineering Advisor: Paul M. Santi Alluvial fan, colluvium, glacial till, glacial outwash, and debris flow deposits sampled in Durango and

Montrose, Colorado were successfully discriminated using geotechnical properties. Similarity

between glacial till and glacial outwash was shown, as was the dependence of the geotechnical

characteristics upon the lithology of the gravels, and hence the parent geologic materials of the

deposits. Geotechnical testing of these surficial deposits included particle-size analysis, Atterberg

limits, specific gravity, angularity and shape of gravels, and uncompacted void content (UVC).

Geological characterization involved classifying the lithology for all materials except alluvial fan

deposits, which lacked sufficient gravel for characterization. Several strong regression relationships

were recognized between lithology and angularity, the most significant of which are: 1) the angularity

of gravels in glacial till and outwash is positively dependent on sandstone gravel content, 2) the

plasticity index of the minus #40 sieve fraction of outwash is positively dependent on the metamorphic

gravel content, 3) the amount of fines in outwash is positively dependent on sandstone and

metamorphic gravel content and negatively dependent on carbonate gravel content, and 4) rounded

and subrounded gravel content in outwash is dependent on the content of carbonate and volcanic

igneous gravel. Particle-size analysis demonstrated that glacial till and glacial outwash have very

similar particle-size distributions and that alluvial fan, colluvium, glacial deposits and debris flow

deposits have different particle-size distributions that occupy distinct fields on a particle-size

distribution graph. Debris flow deposits have the most coarse material (i.e. gravel) while colluvium

and alluvial fan deposits have the most silt and clay-sized particles. Generally, alluvial fan, colluvium

and debris flow deposits are more angular than glacial till and outwash.

34

Environment: Oral Afternoon O

The Steady-State Distribution of the SLAW Mobility Model

Presenter: Aarti Munjal

Degree Program: Doctorate Department: Math & Computer Science Advisor: Dr. Tracy Camp

Poster Abstract

The Steady-State Distribution of the SLAW Mobility Model

Aarti Munjal ( HYPERLINK "mailto:amunjal@mymail.mines.edu"amunjal@mymail.mines.edu)

Ph.D. Candidate, MCS Department, Colorado School of Mines

Collaborators: Dr. William C. Navidi and Dr. Tracy Camp

Movement patterns of mobile nodes significantly affect the performance of a Mobile Ad hoc Network

(MANET) routing protocol. Thus, it is essential that the mobility traces generated by a mobility model

closely match the trace data collected from experiments. In addition, the probability distribution of

mobile nodes (over the simulation area) varies with time before it comes to a steady-state. In other

words, distribution of mobile nodes in steady-state is independent of their initial position. If traces

generated by a mobility model are used before its steady-state is reached, this variability in

distribution may lead to misleading results, called initialization bias. Thus, for credible MANET

simulations, it is required that a mobility model used (1) is realistic (i.e., its mobility traces closely

match the experimental data) and (2) starts in a steady-state (i.e., there is no initialization bias).

In this work, we analyze a recently published realistic mobility model, called SLAW. The SLAW

mobility model is based on real GPS traces collected from five outdoor sites. Previous work with

SLAW is done by discarding first few hours of simulation time. We show that, based on the scenarios

chosen, SLAW can take much longer to come to a steady-state. The main contribution of our work is

that we provide methods for sampling from the steady-state distributions of mobile nodes’ locations

and pause- times. Sampling from the steady-state distributions allows the SLAW mobility model to

start in a steady-state and thus, avoids initialization bias in data.

35

Earth: Oral Afternoon P

An Experimental Study for Investigating the Stress Dependence of Permeability in Sandstones and Carbonates

Presenter: Vladimir Petunin

Degree Program: Master's Department: Petroleum Advisor: Dr. Yin Stress-permeability tests were conducted on sandstone, carbonate, and fractured cores using a

CMS-300 permeameter. The reduction in porosity and permeability with increasing stress was

analyzed using a Carmen-Kozeny type equation with a variable porosity exponent. In tight

sandstones the porosity exponent was about two, in agreement with previous studies. In carbonate

cores the permeability was much more sensitive to applied stress and the porosity exponents were

much higher. Our hypothesis that the high porosity exponents observed in carbonate cores can be

used to reveal the structure of the pores and distinguish conductive and storage portion of the

effective porosity was verified using a CT scan. Once carbonate core conductive porosity was plotted

against permeability a clear relationship emerged. In the case of sandstones, a relationship between

the porosity exponent and permeability was also observed. The variation in the porosity exponent, in

fractured cores, reflects the dual porosity nature of the system and can be used to distinguish fracture

porosity and matrix porosity. The porosity exponent is a very useful metric to quantity how pore

structure affects permeability.

36

Energy: Oral Afternoon Q

New Stochastic Approach to Construct Porous Media Geometry Models and Simulation of Non-Darcy Flows

Presenter: Feng Xiao

Degree Program: Doctorate Department: Petroleum Advisor: Xiaolong Yin We present a new method to construct two- and three-dimensional porous media geometry models

from Voronoi diagrams. The parameters of the algorithm can be adjusted to produce isotropic and

anisotropic fully percolated geometries with both low and high effective porosities (10% to 50%). The

permeability calculated using D2Q9 and D3Q19 lattice Boltzmann methods with multiple relaxation

time (MRT) collision operators matched well with existing correlations. The tortuosity of the models,

calculated from diffusion of tracers, ranged from 1.2 to 1.5. As an application, we studied regime

transition from Darcy to non-Darcy flows. In Darcy flows, the superficial velocity through the porous

media is a linear function of applied pressure gradient; in non-Darcy flows, due to the inertia of the

fluid, the superficial velocity becomes a nonlinear function of the applied pressure gradient. The

observed variation in the apparent permeability with the Reynolds number agreed well with existing

correlations. The impact of porous media texture on flow regime transition was investigated by

randomly removing grains. Porous media geometries with grains removed showed transitions to non-

Darcy flows at lower Reynolds numbers and the deviations had higher slopes than those without

removed grains at a similar porosity. Flow patterns within the pore space were correlated to flow

regimes: bypassing streams and steady state vortices were observed in the Forchheimer flow regime,

and unsteady vortices were observed in the trans-Forchheimer regime. These results indicate that the

transition from Forchheimer to trans-Forchheimer regimes is likely to be triggered by flow instability.

37

Morning Poster

Presentations

38

Energy: Poster Morning 1

Semiconducting Nanoparticle Functionalization for Application in Organic Photovoltaic Devices

Presenter: Nate Bade

Degree Program: Undergraduate Department: Chemical Engineering Advisor: Liberatore Thin film hybrid photovoltaics, which include organic donor and inorganic acceptor components, are

attractive due to higher adsorption coefficients, more desirable mechanical properties, and less

expensive processing. Despite these advantages, hybrid thin films have shown limited efficiency due

to poor charge separation and extensive charge recombination. Charge separation occurs at the

organic/inorganic interface. Covalent attachment of the two components improves charge separation

by ensuring the electron’s source and means of transport are in intimate contact. This research

focuses on covalently attaching organic polymers to semiconducting nanoparticles with the goal of

creating ordered heterojunction organic photovoltaic devices. Various polymers with different end

groups were synthesized for attachment to semiconducting nanoparticles. Gold nanorods with

varying aspect ratios were synthesized as the inorganic component of a model system.

Functionalization of the nanorods with polymer improved separation and dispersion of the inorganic

component in thin films. With proof of concept, cadmium selenide semiconducting nanorods were

synthesized to be functionalized with poly(3-hexylthiophene), a polymer with desired absorption

properties. The current work aims to functionalize cadmium selenide nanorods and silica surfaces

with conducting polymers for applications in photovoltaic devices.

39

Energy: Poster Morning 2

Understanding Hydrate Plug Formation from High Water Cut Systems With a Four Inch Flowloop

Presenter: Sanjeev Joshi

Degree Program: Doctorate Department: Chemical Engineering Advisor: Dr. C. A. Koh As oil/gas subsea fields mature, the amount of water produced increases, which results in an

increased risk of hydrate plug formation in the flowlines. It is important to understand the mechanism

of hydrate plug formation in high water cut systems in order to manage hydrate plug prevention. In

this work, we performed an extensive series of hydrate formation and dissociation experiments in a

four inch diameter flowloop at the ExxonMobil research facility at Friendswood, TX. The flowloop was

instrumented for pressure, temperature, density, particle size, and differential pressure

measurements. The effect of mixture velocity (1 to 2.5 m/s) and liquid loading (50% to 90%) on

hydrate plug formation was studied for 100% water cut (no oil present) systems, with methane as the

hydrate gas former. The pressure drop across the pump due to flow did not increase until a certain

concentration of hydrates, defined as Φtransition, was reached. Φtransition was found to be

unaffected by liquid loading and the presence of salt in water while it increased with increasing flow

velocity. A hydrate plugging mechanism for 100% water cut systems was developed based on the

experimental observations, which involved a transition from homogeneous to heterogeneous

suspension of hydrate particles in water. This transition led to the accumulation of hydrate particles in

the tail of liquid slug leading to bedding of hydrate particles in the flowloop and hence a high pressure

drop. Hydrate growth conditions and the mixture velocity were found to dictate Φtransition.

40

Energy: Poster Morning 3

The Effect of EDTA on Hydrogen Permeation in Pd Composite Membranes

Presenter: Amanda Lewis

Degree Program: Doctorate Department: Chemical Engineering Advisor: J. Douglas Way Composite palladium (Pd) alloy membranes are fabricated by electroless deposition of Pd and the

alloying metal on asymmetric, porous zirconia tubes manufactured by Praxair, Inc. Typical

commercial, electroless plating baths require an organic complexing agent, such as

ethylenediaminetetraacetic acid (EDTA), to stabilize the Pd ions in solution. There has been evidence

to suggest that the addition of EDTA can leave carbon contamination in the film [1-3]. This

contamination can facilitate the formation of pinholes during mixed gas testing [3, 4]. The motivation

for this study is to investigate if there is a finite amount of EDTA that can be added to a Pd plating

bath that will not inhibit pure hydrogen permeance.

The supports are activated prior to electroless plating using a solution of Pd acetate in chloroform that

is fired in air to decompose the organic ligand. This leaves behind a layer of Pd oxide, which is the

nucleation site for crystal growth. Immediately prior to plating, the Pd oxide is reduced to metallic Pd

with a dilute hydrazine solution. Four different amounts of EDTA were added to CSM’s standard,

EDTA-free electroless Pd plating solution [5]: 20, 40, 60, and 80 g/L. These amounts were chosen to

bracket the amounts of EDTA that has been or is currently being used in the literature [2, 6, 7]. The

plating temperature, hydrazine amount, and length of time in the plating bath were all held constant to

understand the effect of EDTA on plating kinetics. At 50 °C, the plating rate decreases as the amount

of EDTA increases. This is not a surprising result as one of the functions of EDTA is to complex the

Pd2+ ions in order to reduce the rate of homogeneous nucleation in the plating bath.

Current work is focusing on pure gas testing the membranes with EDTA in industrial hydrogen (H2)

and nitrogen (N2). The goal is to make sure reasonable H2/N2 selectivity is maintained throughout

testing. The H2 fluxes of all the EDTA membranes will be compared to membranes without EDTA in a

flux vs. reciprocal thickness plot. Preliminary results of membranes made with the higher EDTA

amountsexhibit lower fluxes than membranes made without EDTA by 15% and 32% for the 60 and 80

g/L EDTA, respectively.

References

41

1. Collins, J.P., et al., Catalytic Dehydrogenation of Propane in Hydrogen Permselective

Membrane Reactors. Industrial & Engineering Chemistry Research. 35(12):(1996) p. 4398-4405.

2. Volpe, M., et al., Optimized bath for electroless deposition of palladium on amorphous alumina

membranes. Surface and Coatings Technology. 200(20-21):(2006) p. 5800-5806.

3. Kulprathipanja, A., et al., Pd and Pd-Cu membranes: inhibition of H2 permeation by H2S.

Journal of Membrane Science. 254(1-2):(2005) p. 49-62.

4. Kulprathipanja, A., et al., Effects of Water Gas Shift Gases on Pd−Cu Alloy Membrane

Surface Morphology and Separation Properties. Industrial & Engineering Chemistry Research.

43(15):(2004) p. 4188-4198.

5. Gade, S.K., P.M. Thoen, and J.D. Way, Unsupported palladium alloy foil membranes

fabricated by electroless plating. Journal of Membrane Science. 316(1-2):(2008) p. 112-118.

6. Shu, J., et al., Simultaneous deposition of Pd and Ag on porous stainless steel by electroless

plating. Journal of Membrane Science. 77(2-3):(1993) p. 181-195.

7. Paglieri, S.N. and J.D. Way, Innovations in palladium membrane research. Separation &

Purification Reviews. 31(1):(2002) p. 1-169.

42

Environment: Poster Morning 4

Biophysical Changes to Lipid Bilayers by the Addition of Dendritic Amphiphile Molecules

Presenter: Riya Muckom

Degree Program: Undergraduate Department: Chemical Engineering Advisor: Amadeu K. Sum Authors: Riya Muckom and Amadeu K. Sum

Molecular dynamics simulations were used to gain insight on the molecular interactions in a lipid

bilayer comprised of DPPC and varying molar ratios of antimicrobial, dendritic amphiphile molecule,

3CAm19 (RCONHC(CH2CH2COOH)3, R = n-C19H39). The molar ratios of 3CAm19:DPPC studied

were: 0.0, 0.1, 0.2, 0.3, 0.4, and 0.5, at both 300 K and 325 K. Previous experiments show that a pure

DPPC bilayer exhibits an ordered, gel phase at 300K; while at 325K it exhibits a disordered, liquid-

crystalline phase. This project analyzes different biophysical properties of the equilibrated lipid

bilayers to determine how the presence of the 3CAm19 affects the disorder, and further, the phase

transition temperatures, of the lipid bilayer. The results suggest that the amphiphile molecules induce

disorder to the lipid bilayer, thus decreasing the phase transition temperature with increasing

3CAm19 concentrations. These computational studies reinforce previously conducted experimental

results on the effect of 3CAm19 concentration on a DPPC bilayer.

43

Environment: Poster Morning 5

Building coagulation and platelet activity into microfluidic blood flow assays

Presenter: Abimbola Onasoga

Degree Program: Doctorate Department: Chemical Engineering Advisor: Keith Neeves Coagulation is a set of interdependent reactions that generate the enzyme thrombin at the site of an

injury. Thrombin catalyzes the production of fibrin, a fibrillar protein mesh that that forms the scaffold

onto which a clot is built. Blood cells called platelets aggregate on this scaffold to form a hemostatic

clot. In a clinical setting, coagulation is measured in static, or not flow, assays that are notoriously

poor predictors of bleeding. We hypothesize that performing these assays under physiological flow

conditions will improve the prediction of bleeding. To test this hypothesis, we have studied the

dynamics of platelet adhesion to an adhesive protein (collagen) under physiological flow. Using

micropatterning techniques, we measured platelet adhesion and aggregation on collagen spots with

diameters ranging from 10-200 micrometers. In experiments with human whole blood, we found

platelets adhere to these collagen spots over a time scale of 1-10 minutes at wall shear rates typical

of the human vasculature. Next, we studied the generation and propagation of fibrin by flowing

human plasma over a micropatterned procoagulant protein (tissue factor). In these experiments, we

measured the morphology and biochemical conditions at which fibrin forms at different shear rates

(100-500 1/s). Finally, we built coagulation in conjunction with platelet activity into microfluidic flow

assays by perfusing whole blood samples over co-patterned collagens (to initiate platelet adhesion)

and tissue factor (to initiate coagulation). Since bleeding disorders, such as hemophilia, are

characterized by diminished thrombin generation. We hypothesize that performing these assays

under physiological flow conditions will improve the prediction of bleeding. To test this hypothesis, we

perfused whole blood over these prothrombotic surfaces at 100 s-1 from normal controls (n=8) and

hemophilia A patients (n=8) for 5 min. There were clear differences in fibrin surface coverage

(marker for coagulation) and thrombus height (h) between controls (36.6% ± 10.8%, h=28.4 ± 1.2 µm)

and hemophilia patients (7.5% ± 1.9%, h=17.1 ± 1.7 µm). These results show that flow assays can

discriminate between controls and hemophilia patients, and may add sensitivity to predicting bleeding.

44

Energy: Poster Morning 6

PECVD synthesis of hybrid organic-inorganic nanolaminates

Presenter: Rakhi Patel

Degree Program: Doctorate Department: Chemical Engineering Advisor: Prof. Colin Wolden Hybrid organic-inorganic nanolaminates combine the functionality of an inorganic material with the

flexibility and mechanical integrity provided by the organic polymer layer. They serve as advanced

dielectrics, barrier coatings, and as optical components. In principle a single inorganic layer can

deliver sufficient dielectric or barrier properties. In practice performance is limited by the presence of

pinholes, which provide pathways for permeation and electrical leakage. Moreover, the thickness of

these layers is limited in applications requiring flexibility. Hybrid nanolaminates address both of these

issues. This work focuses on the low temperature synthesis of alumina/silicone nanolaminates by

plasma-enhanced chemical vapor deposition (PECVD) in a single chamber for dielectric applications.

Self-limiting synthesis of alumina was accomplished via pulsed PECVD at the synthesis temperature

of 105 °C using trimethyl aluminum (TMA) and oxygen as precursors. The deposition kinetics and film

quality were evaluated as a function of precursor exposure, plasma power, substrate temperature,

and pulse parameters. Film composition was assessed by using spectroscopic ellipsometry and

Fourier transform infrared spectroscopy (FTIR). The deposition rate per pulse scaled with the degree

of precursor exposure during the plasma off step. Through appropriate control of the TMA

concentration and pulse duration, the depositing rate could be adjusted over a narrow range (1.6 –

2.8 Å/pulse). Alumina films deposited at 105 °C contained a very small concentration of hydroxyl

impurities. Polymeric silicone-like coatings were deposited using hexamethyldisiloxane (HMDSO) and

oxygen as precursors. A wide range of coatings, from inorganic SiO2-like films to flexible polymeric

films could be deposited by appropriate control of parameters including the rf power and working

pressure.

Alumina/silicone nanolaminates were constructed as a function of nanolaminate composition and

bilayer thickness. Precise control of nanolaminate construction was confirmed through field emission

scanning electron microscopy (FE-SEM) and transmission electron microscopy (TEM). The dielectric

performance of these structures was examined by using capacitance-voltage and current-voltage

measurements. The effective dielectric constant could be controlled by changing the alumina content

45

of the nanolaminates, and modeling these structures as capacitors in series accurately described the

observed variations in κ.

46

Environment: Poster Morning 7

Understanding the Role of Fibrin Hydrogel Assembly on Blood Clot Transport

Presenter: Adam Wufsus

Degree Program: Doctorate Department: Chemical Engineering Advisor: Keith Neeves The formation of a haemostatic plug is the basic mechanism by which blood loss is stopped at the

site of an injury. This plug is largely made up of two components; fibrin and platelets. Fibrin is

formed by polymerization of a plasma protein, fibrinogen, which is catalyzed by the enzyme thrombin.

Following the formation of the initial fibrin scaffold, the structure and the stability of the plug is

determined, in part, by the rate at which strengthening and degrading enzymes are made available to

the fibers within the interstitial space. This process is largely controlled by the rate at which these

enzymes are transported through the clot. To explore the transport within a clot, both macroscopic

and microscopic measurements of fluid flow were conducted in fibrin gels. Macroscopic

measurements consisted of determining the hydraulic permeability of a gel. Gels were formed in a

plastic tube (D = 17 mm) and in glass capillaries (D = 1.1 mm) using both a purified fibrinogen system

and human normal pooled plasma. These gels were connected to a reservoir and the volumetric flow

rate through the clot was measured as a function of head. Results showed that for a constant

fibrinogen concentration of 2.9 mg/ml and thrombin concentration of 10 nM resulted in a permeability

of 2.64*105 nm2, ± 1.59*105 nm2.In addition, the permeability increased with increasing pressure

drop, suggesting an expansion of some pores within the fibrous network. To test this hypothesis,

microscopic measurements were made by tracking fluorescently labeled tracer particles through the

fibrin gels. Results showed that the linear velocity with which the tracer moved through the clot was

greater than the average linear velocity of the fluid calculated from macroscopic measurements.

Confocal microscopy images of the gel morphology suggest that this result is likely due a

heterogeneous porous network where particles followed high permeability tracks within the gel.

Analysis of tracer particles confirms that regions of preferential fluid flow and dilation of pores with

increasing pressure gradients (250-10,000 Pa). The implications of these results can have a large

impact on clot stability and degradation and can possibly provide useful information for the design of

drug delivery to occlusive blood clots.

47

Environment: Poster Morning 8

Microbial Carbon Diagenesis Within Contrasting Deep Sea Antarctic Sediments

Presenter: Stephanie Carr

Degree Program: Doctorate Department: Chemistry & Geochemistry Advisor: Mandernack This study investigates organic carbon (OC) inputs and diagenesis in deep sea sediments as it

relates to microbial biomass and diversity. During the Integrated Ocean Drilling Program’s Expedition

318, cores from two sedimentary environments with highly contrasting inputs of OC were collected for

microbial and geochemical analyses. Site U1357, located in a deep continental shelf basin, has a

particularly high sedimentation rate of ~2 cm/yr, whereas Site U1359 is located on the continental rise

with a low sedimentation rate of ~2cm/kyr. We hypothesize that concentrations of labile OC down

core will reflect the extent of diagenesis and will correlate with a metabolic shift from heterotrophy to

autotrophy and/or methanogensis. Analyses of the top 20 m of sediment at each site include

structural analysis of bacterial and archaeal phospholipids, porewater geochemistry and

characterization of labile carbon substrates. Particulate OC (POC) at U1357 is ~1 wt% throughout the

top 20 m while dissolved inorganic carbon (DIC) increases from 40 to 75 mM. In contrast, the POC

concentration at U1359 is ~0.1 wt%, while DIC increases from 2.5 to 5 mM. The availability of carbon

substrates is reflected in bacterial biomass estimates which are ~1x10^9cells/g dry sediment

throughout the top 20 m at Site U1357 but only 9x10^6 cells/g dry sediment in the top 10 cm of

U1359. Further characterization of labile OC, along with 16S rRNA sequencing will provide additional

insight to the linkages among OC diagenesis, microbial abundance, and metabolic diversity at these

sites.

48

Environment: Poster Morning 9

Photocatalytic Properties of Flower-like ZnO Nanostructures

Presenter: Nick Linck

Degree Program: Undergraduate Department: Chemistry & Geochemistry Advisor: Ryan Richards Photocatalytic reactions on metal oxides have been investigated for a few

decades, but there is little knowledge available concerning the relations among

the surface properties, band structures and photocatalytic activities. Previously,

we prepared flower-like and defect-rich nanostructured ZnO (CSMZnO) by a

simple wet chemical method. CSM-ZnO has flower-like morphologies, which are

composed of the 6-fold single crystalline building blocks with large amounts of

holes on the well-defined surfaces. In the present study, a model photoreaction,

namely, the decomposition of methylene blue, was selected; and CSM-ZnO was

used as the model photocatalyst. The results demonstrated the photocatalytic

activity does not strongly depend on the surface properties, at least in the case of

CSM-ZnO.

49

Environment: Poster Morning 10

Heteroaggregation between quantum dots and natural nanoparticles in environmental conditions

Presenter: Manuel Montano

Degree Program: Master's Department: Chemistry & Geochemistry Advisor: James F. Ranville With the increasing production and marketing of nanotechnology, it is evident that engineered

nanomaterials will inevitably be released into the environment. As such, it will be necessary to

understand the fate and behavior of these materials in order to facilitate proper regulation and

remediation of this technology. Among the many factors to be taken into account, the aggregation

phenomenon is one of the least understood. Once introduced into the environment, these materials

may self-aggregate or aggregate with other naturally occurring nano- and colloidal materials. This

process affects the transport of the particles, ultimately determining the extent and scope of their

toxicity. This project aims to model this behavior between a prominent nanomaterial, the quantum dot,

and a ubiquitous natural colloid, hematite. The resulting information gained from this study can be

used for future investigation into the fate and transport of engineered nanomaterials.

50

Environment: Poster Morning 11

Geochemistry and measurement of aqueous arsenic and uranium at a field site undergoing stimulated bioreduction

Presenter: Valerie Stucker

Degree Program: Doctorate Department: Chemistry & Geochemistry Advisor: James Ranville Rifle, CO is the home of a former uranium and vanadium mill that was decommissioned as part of the

Uranium Mill Tailings Radiation Control Act (UMTRCA). Surface contamination was removed in 1996,

but groundwater contamination remains. Current remedial strategies involve acetate injections aimed

at stimulating microbial growth to reduce mobile aqueous uranium (VI) to immobile uranium (IV) in the

form of uraninite. Passive flux meters (PFM), based on ion exchange resins, have been developed to

measure uranium and groundwater fluxes at the site. Decreased uranium fluxes and concentrations

have been observed downgradient from the acetate injection wells. While this biostimulation strategy

shows potential for remediating uranium contamination, these same reducing conditions have been

shown to negatively impact the arsenic chemistry of the site. Reducing conditions release large

concentrations of mobile arsenic, potentially due to the reductive dissolution of associated iron

minerals or the formation of aqueous thioarsenic species. Determining arsenic speciation under

oxidizing and reducing conditions may help to elucidate the source of the high arsenic releases seen

at this site. A Dionex AG-16 anion exchange column using gradient elution is used to separate the

arsenic species and inductively couple plasma mass spectrometry is used as an arsenic-specific

detector. Upgradient samples taken from the oxidized groundwater show low arsenic concentrations

mostly present as As(V), while downgradient, reduced samples have high total arsenic concentrations,

composed of As(III), and other unidentified reduced arsenic species. While it is unclear at the

moment the exact source, it is clear that reducing conditions responsible for immobilizing uranium will

mobilize arsenic, where present, and a better remediation strategy might need to be considered.

51

Energy: Poster Morning 12

Single Sensor Fault Detection for Wind Turbines: Design and Comparison of Model-based Schemes

Presenter: Fatima Azzahra El Azzouzi

Degree Program: Master's Department: Engineering (Civil, EE, ME, Systems) Advisor: Dr. Kathryn Johnson The increasing growth of wind energy and installation of turbines offshore sets higher expectations on

the reliability of wind turbine systems. During its operation, a wind turbine is prone to various types of

failures that disturb its normal operation and introduce unplanned maintenance costs. Monitoring the

resilience of wind turbines starts with recognizing faults when they occur. Fault detection has been an

active field of research for a few decades now, but its application to wind turbines has only taken off

in the last decade and still lacks in publications. In 2009, a fault detection benchmark model for a 4.8

MW wind turbine has been proposed by P. Odgaard, J. Stoustrup & M. Kinnaert at the 7th IFAC

Symposium on Fault Detection, Supervision and Safety of Technical Processes.

The sensor faults simulated on the benchmark model include: stuck sensor faults, offset faults and

scaling factor faults. State-of-the-art model-based sensor fault detection relies on the concept of

physical redundancy in the sense that detecting a faulty sensor is contingent on comparing its

behavior to a corresponding redundant sensor (that measures the same quantity). Comparable

detection schemes based on measurements from a single sensor would alleviate the need for sensor

redundancy to solve the fault detection problem. Since sensors are expensive components of a wind

turbine, single sensor fault detection implies a cost reduction.

The objective is to detect sensor faults with comparable results to the existing redundancy-based

methods. Single sensor fault detection schemes are designed for each of the fault types using

techniques that include Kalman filtering and statistical change algorithms such as CUSUM LS. A

detection alarm is issued upon the occurrence of a fault. The schemes are compared based on

effectiveness and robustness. Effectiveness of the schemes is assessed according to criteria such as

the speed of detection, limited false alarms, and no missed detections. The results show similar

performance to the redundancy-based methods, and in some instances faster detection and less

false alarms.

52

Energy: Poster Morning 13

Progress Toward Inkjet Deposition of Segmented-in-Series Solid-Oxide Fuel Cell Architectures

Presenter: Nicolaus Faino

Degree Program: Master's Department: Engineering (Civil, EE, ME, Systems) Advisor: Neal Sullivan This project presents our progress in applying inkjet-printing technology in fabrication of solid-oxide

fuel cells (SOFCs) in the segmented-in-series architecture. Cell materials include a nickel anode,

yttria-stabilized zirconia electrolyte, strontium-doped lanthanum manganate cathode, and lanthanum-

doped strontium titanate interconnect. Inks are formulated from commercially sourced powders, and

printed onto porous, chemically inert, partially stabilized zirconia supports. Accurate registration of

SOFC materials is observed at a feature size of approximately 100 µm. After high-temperature

sintering, good adhesion between SOFC materials and the support is also evident.

53

Earth: Poster Morning 14

Finding Primes in Conics

Presenter: Richard Farnsworth

Degree Program: Undergraduate Department: Engineering (Civil, EE, ME, Systems) Advisor: Judith Wang Primes have been one of the longest lasting mysteries to mathematicians. They are governed by a

very simple rule: only divisible by itself and one; but seep to appear randomly along the number line. I

am interested in the distribution of these numbers, and have discovered a relationship between the

occurrence of primes and the attributes of their hyperbolic transforms. A hyperbola scaled to the

square root of a prime number will only display one positive point where both x and y are integers.

Composite numbers will have multiple points where both x and y are integers. This formula in its

current state is no more useful to calculating primes than z=y/x, but we hope this will help develop an

understanding of the patterns that determine when a number will or will not be prime. Furthermore,

any hyperbolic function can be broken down into a parametric equation of the hyperbolic sine and

cosine. The hyperbolic functions are based on Euler’s number, so a link may be found between e and

the Distribution of primes. From the current link to the hyperbola, we hope to use our understanding

of conics to find a function that will produce only primes.

54

Energy: Poster Morning 15

Planning Microgrid Topologies Considering Reliability, Cost, and the Impact of Plug-in Hybrid Vehicles

Presenter: Julieta Giraldez

Degree Program: Master's Department: Engineering (Civil, EE, ME, Systems) Advisor: Dr. Siddharth Suryanarayanan In response to the discussion on how electric power distribution systems should evolve under the

Smart Grid, an optimization problem is defined to determine locations for Distributed Generation (DG)

and feeder intertie connections in a legacy radial distribution system to improve reliability in the

islanded mode of operation – i.e., microgrid. For that, a Multi Objective Genetic Algorithm (MOGA) is

formulated and optimizes a fitness function through the evaluation of potential solutions allowing

addressing the redesign problem as a whole, representing a candidate solution as one with

networked connections and DGs. The MOGA is applied to a test system in which two types of

modeling the load are explored and satisfactory design solutions are obtained. Finally, a methodology

is proposed to determine the impact of PHEVs with vehicle-to-grid (V2G) features on distribution

systems. The methodology is based on a probabilistic simulation of daily behavior of a PHEV fleet to

determine the charging patterns of the vehicles for utility peak-shaving purposes and for the benefit of

the owner through a Linear Programming (LP) optimization. The charging patterns of the PHEV

simulated fleet are used to determine the impact of PHEVs in a distribution test system under

islanded mode of operation. This work is funded in part by the Power Systems Engineering Research

Center (PSERC) and the Joint Institute of Strategic Energy Analysis (JISEA).

55

Earth: Poster Morning 16

Development of Soil Stiffness Measuring Device for Pad Foot Roller

Presenter: Shawn Kimmel

Degree Program: Doctorate Department: Engineering (Civil, EE, ME, Systems) Advisor: Mooney Pad foot rollers are used to compact or densify soil during the construction of roadways, earth dams,

building foundations, etc. At present, quality assessment is performed periodically and only at ‘spot’

locations. In fact, less than 0.1% of the project is tested using current techniques. Our goal is to

integrate the measurement of soil stiffness into the roller compactor to enable 100% assessment of

the project material. The proposed stiffness measurement device consists of a soil deflection

measuring laser system and a soil force measuring system based on strains in the 'pads' (i.e. roller

drum protrusion that kneed the soil) that compact the soil. The laser system measures indentations

left by pads that compact the soil. The depth of these indentations decrease with stiffness. The force

used to create each indentation can be measured directly by the pads. The loading on the pads

changes with stiffness, which is seen by an increasing force and changing contact stress distribution.

The pad was modeled in finite element in order to understand how pad strains change with various

soil conditions. By combining the laser deflection measurements with a pad-strain force

measurements, we can calculate a soil stiffness value. The conceptualization, design, and testing of

this system is discussed.

56

Energy: Poster Morning 17

Ceramic Microchannel Reactor for Fischer-Tropsch Synthesis

Presenter: Margarite Parker

Degree Program: Master's Department: Engineering (Civil, EE, ME, Systems) Advisor: Neal Sullivan Microchannel reactors are an upcoming technology because they offer accurate control of thermal

processes, thus increasing product selectivity, heat transfer rates, and catalyst activity. Due to their

size, material costs are decreased and they can be used as portable, low weight power systems.

They incorporate separated “hot” and “cold” side channels, thus allowing separation of exothermic

and endothermic processes. In particular, ceramic microchannel reactors are being used over metal

ones due to their high temperature stability. Microchannel reactors can be used in many applications,

from methanol steam reforming, to Fischer-Tropsch synthesis.

Through Fischer-Tropsch synthesis, synthesis gas is converted into liquid synthetic fuels that can be

used directly or further processed to produce diesel and jet fuel. Synthesis gas is readily available

from a variety of materials, including natural gas and biomass. If coupled with biomass gasification,

carbon neutral fuel can be produced from a renewable feedstock.

This work presents a ceramic microchannel reactor that is being developed in collaboration with

CoorsTek, Inc. through their low-cost process called Pressure Laminated Integrated Structure

(PLISTM). This process was chosen because it ensures high-integrity bonding between layers and

the fabrication of complex parts. Design considerations, such as channel and wall thickness, were

evaluated in FLUENT, a computational fluid dynamics program. The current counter-flow design was

chosen to facilitate high effectiveness for heat exchange. The reactor is made up of four layers, with

two of the layers for the reactive side, and two for the non-reactive side. It is 50 mm wide by 100 mm

long, with 10 channels across, and is made of 94% alumina.

Future work includes optimization of selectivity and activity for Fischer-Tropsch synthesis using hot oil

to maintain thermal stability on the non-reactive backing side.

57

Earth: Poster Morning 18

Solving the Exact Cover Problem Using Convex Optimization

Presenter: Alejandro Weinstein

Degree Program: Doctorate Department: Engineering (Civil, EE, ME, Systems) Advisor: Kevin Moore The exact cover is a well known problem in computer science that belongs to the

NP-complete complexity class. It can be solved using the non-deterministic

method called "Algorithm X", developed in 2000 by Donald Knuth. This work

presents a novel method to solve the exact cover problem. We show how to pose

the problem as an ill-defined linear system of equations, and how to solve it

by leveraging ideas from the sparse approximations and convex optimization

fields. In particular, we show that we are able to overcome some of the

difficulties that arise in our formulation, by using the convex iteration

method developed by Jon Dattorro. We illustrate our method by successfully

solving a set of Sudoku puzzles, that can be recast as an exact cover problem.

58

Earth: Poster Morning 19

Scale effect on permeability of fracture rock

Presenter: Dong Joon Youn

Degree Program: Doctorate Department: Engineering (Civil, EE, ME, Systems) Advisor: M. Gutierrez The geometry of rock discontinuities plays a crucial role in permeability of fractured rock. However,

exact determination of the fracture system is not possible due to the high scale dependency of the

system. Often only limited data are available from core samples, outcrop analogues and seismic

surveys. This research is intended to evaluate the scale effects on permeability in fractured rock

mass using permeability tensor and Monte Carlo Simulation. Power law and Fisher distribution are

used to generate realistic fractured rock sample in the simulations. Fracture distribution is related with

permeability distribution in the first part of the research, and analysis on permeability variations in

different volume scales and fracture sampling ratios is conducted. The above comparison and

analysis results yield the possible fracture geometry and permeability relationship without requiring

redundant calculation. The permeability distribution from different sampling volume ratios shows

expectable tendency in the specific range of volume ratio, determined by intensity of fracture. In the

last part of the report, proportional contribution of fracture length distribution is also examined, and

compared with the above result.

59

Environment: Poster Morning 20

Polymer-enhanced remediation of VOCs in heterogeneous aquifers

Presenter: Sean Davenport

Degree Program: Doctorate Department: Environmental Science Advisor: Dr. John McCray In situ chemical oxidation (ISCO) and in situ bioremediation (ISB) have been successfully used to

remediate a variety of toxic organic contaminants and transform them into harmless substances

worldwide. However, these sites can experience poor remediation performance, which is often

attributed to the inability to effectively distribute the remedial amendment to all areas within the

treatment area. This inability to deliver the amendment to all areas of the target area results in the

bypassing of low permeability zones and can lead to the rebounding of contaminant concentrations

following remediation. The coupling of shear-thinning polymer floods (e.g. xanthan polymer) with

traditional in-situ remediation technologies has shown great promise in improving the distribution of

amendments in heterogeneous subsurface systems. The structure of xanthan gum is composed of a

linear glucose backbone, with trisaccharide side chains of mannose and glucuronic acid, and is

readily degraded to simple sugars in environmental systems. Several microcosm experiments were

performed to evaluate the timing and extent of xanthan polymer degradation in soils and its ability to

serve as a carbon source to enhance bioremediation. During the course of the experiment, the

biological degradation of the polymer and the ability of those degradation products to support KB-1

cultures in the biologically transformation of trichloroethene (TCE) to ethane were evaluated.

60

Environment: Poster Morning 21

Minimizing environmental footprint of mineral recovery operation using membrane distillation crystallization

Presenter: Kerri Hickenbottom

Degree Program: Master's Department: Environmental Science Advisor: Tzahi Cath Mineral manufacturing companies’ produce a wide variety of goods used in many industries, including

producing water softeners and road salts for civic uses and fertilizers for agricultural uses.

Traditionally, mineral extraction plants operate by concentrating highly saline water in a series of

evaporation ponds. The minerals of interest are then separated/extracted through chemical

processing. The evaporation ponds occupy a considerable amount of valuable real estate.

Additionally, during the evaporation process, a viable source of water is released into the environment

and lost. Furthermore, there is a considerable amount of heat that is wasted into the environment

during chemical processing.

Membrane processes are widely utilized to produce water form unconventional sources, including

saline sources. Reverse osmosis (RO) is a well-accepted pressure driven membrane process used

for desalination of seawater and brackish water. RO can only effectively concentrate the feed stream

to a certain amount and then encounters several limitations, including membrane scaling and a

decrease in water flux due to high osmotic pressure of the feed. Membrane distillation (MD) is a

thermally driven membrane process that can be used to further concentrate highly saline water. In

this process mass transport is controlled by the difference in vapor pressures: water evaporates from

a heated feed stream of high salinity, diffuses through the pores of a hydrophobic microporous

membrane in a vapor form, and condenses into a cooler distillate stream on the opposite side of the

membrane. MD is an ideal process for mineral manufacturing applications because it can use the

wasted heat from the chemical processing to heat the feed stream, thus reducing the amount of

energy required for MD, and eliminate the need for evaporation ponds while producing a high quality

mineral product free of impurities. MD is also the only membrane process that can accomplish

desalination of highly saline water because the driving force does not depend on osmotic pressure

but only on vapor pressure that is negligibly affected by salinity.

In the current study, direct contact MD experiments were performed with a hydrophobic, microporous

Teflon membrane. The system was operated with a feed solution of highly saline water, more than

61

four times the salinity of seawater (150 g/L), and pure water as the distillate stream (50 and 30 °C,

respectively). The experiments were performed in batch mode to closely monitor the performance of

the membrane and flux decline as the feed solution became more concentrated. The experiments

were run until the flux declined to 80% its original value (11.2 to 2.3 LMH) and the feed solution was

concentrated to two times its original concentration, thus recovering about 50 percent of the feed

volume in water. Cleaning of the membrane was performed and tested to see if the flux could be

recovered. Coupling of the MD system with an advanced crystallization process was also tested to

evaluate if induced nucleation of specific salts could be performed. The produced water from the

operations can be directly used for industrial operation or agricultural use.

62

Environment: Poster Morning 22

Biotransformation of multiple nitrosamines by a conserved microbial oxygenase

Presenter: Carissa Homme

Degree Program: Doctorate Department: Environmental Science Advisor: Dr. Jonathan O. Sharp The presence of trace quantities of nitrosamines in drinking water supplies has led to concern over

effective removal of these carcinogenic pollutants during water treatment processes. While recent

studies have elucidated enzymes involved in N-nitrosodimethylamine oxidation by a variety of

microorganisms, the application of those findings to a larger suite of nitrosamines has not been

conducted. In this study we investigate the ability of the bacterial strain Rhodocococcus jostii RHA1 to

degrade a diverse suite of nitrosamines including N-nitrosodiethylamine, N-nitrosodi-n-propylamine,

N-nitrosomorpholine, and N-nitrosopyrrolidine. Biotransformation degrades these trace organics to

concentrations below the analytical limit of detection. Experimental results with substrate induction

and genetic knockouts indicate the involvement of a propane monooxygenase in nitrosamines

biodegradation. However, rates of transformation and enzyme affinity appear to vary by compound.

Biodegradation by a conserved enzyme suggests that targeted biotransformation of this suite of

nitrosamines could be employed in passive treatment scenarios for water reuse.

63

Environment: Poster Morning 23

Bioassay for sulfate-reduction potential and toxicity of organic substrates

Presenter: Susana Macias-Marquez

Degree Program: Master's Department: Environmental Science Advisor: Dr. Linda Figueroa Biological treatment with sulfate reducing bacteria (SRB) can be an effective remediation process for

removing metals from mining influenced water. However, the longevity of bioreactors has been

inconsistent due to a lack of understanding of the rate and extent of the release of the food for the

SRB from the solid organic substrates used. The rate at which a substrate is degraded controls the

rate of sulfate reduction (and metals removal) and the biodegradability of the substrate controls the

life span of the bioreactors. The ability to predict sulfate reduction potential has yet to be correlated to

the chemical aspect of the organic substrates. In addition, toxic attributes of the substrates are not

captured by methods used for substrate characterization. A bioassay for sulfate reduction potential

coupled to substrate degradation will provide the missing link. This project will investigate the rate and

extent of sulfate reduction as a function of chemically different organic substrates. The first step is to

develop and validate a batch bioassay procedure. Then, batch experiments will be carried out using a

variety of typically used substrate material, such as corn stover, hay, mushroom compost and wood

chips. The expected result is a robust bioassay that will allow rapid screening of substrate material

prior to use in field applications.

64

Environment: Poster Morning 24

Identifying Mineral Schemes for Aquifer Restoration After Uranium in-situ Recovery

Presenter: Alejandra Tarrell

Degree Program: Doctorate Department: Environmental Science Advisor: Linda Figueroa TARRELL, Alejandra, Div. of Environmental Science and Engineering, Colorado School of Mines,

1500 Illinois Street, Golden, CO 80401, atarrell@mines.edu, FIGUEROA, Linda, Div. of

Environmental Science & Engineering, Colorado School of Mines, Golden, CO 80401, and GILLOW,

Jeffrey, ARCADIS U.S., Inc, 630 Plaza Drive, Suite 100, Highlands Ranch, CO 80129

Uranium in-situ recovery (ISR) involves the injection of an oxidizing lixiviant fluid into the roll front ore

zone of an aquifer for the purpose of mobilizing and extracting uranium. The lixiviant solution oxidizes

and dissolves uranium in ore minerals and keeps the U(VI) in solution by forming strong aqueous

complexes that react little with the host rock so that sorption or precipitation does not hinder uranium

removal. Water quality effects within the aquifer are caused primarily by chemical reactions between

the lixiviant and the geologic medium, as well as with the associated secondary minerals in the host

rock formation. These interactions include redox, dissolution, precipitation, and sorption or ion

exchange reactions. The lixiviant oxidizes the U(IV) minerals in the ore, as well as other reduced

minerals. There is also the potential for mobilization of trace elements including arsenic, vanadium,

zinc, selenium, molybdenum, iron, and manganese.

At the conclusion of ISR, it is necessary to restore the groundwater quality. Groundwater sweep alone

is typically insufficient for complete restoration because of aquifer heterogeneities and alterations to

the host rock mineralogy caused by the lixiviant; oxygen scavengers or reducing agents are then

added to re-establish reducing conditions in the ore-bearing unit of the aquifer.

Current methods of groundwater remediation show an initial decrease in contaminants after

restoration, but concentrations tend to rebound shortly after. This observed rebound has caused

stakeholder concerns and difficulty in permitting ISR operations. Current methods are simplistic,

focusing primarily on the aqueous phase of uranium. Focus should be placed on restoring the mineral

phases, and establishing “mineral schemes” that facilitate restoration as well as achieve sustained

compliance with restoration targets. We present a framework for a robust strategy for restoration that

emphasizes synergy between microbiology and mineralogy, with focus on meeting goals for

65

radionuclides, metals, and metalloids. Data from ISR case studies will be discussed in this context,

including geochemical modeling and mineralogical evaluations supporting this approach.

66

Energy: Poster Morning 25

Integrated 3D Reservoir Model of the Devonian Bakken Formation, Williston Basin: Elm Coulee Field, Richland, Montana

Presenter: Adrian Almanza

Degree Program: Master's Department: Geology & Geological Engineering Advisor: Rick Sarg The Bakken Formation of Williston Basin is a world-class oil resource play that was named the largest

continuous oil in the lower 48 states by the United States Geological Survey (USGS) in 2008. The

Bakken Formation is quite extensive, however it does not have uniform properties throughout.

Identifying “sweet spot” areas with porosity, permeability, and fractures are essential to commercial

petroleum recovery. The Elm Coulee Field is a giant oil field in Eastern Montana that exhibits some of

these critical reservoir properties. Modeling of these reservoir properties will provide a greater

understanding to aid in exploration and development of the Bakken Formation.

The Bakken Formation in the Elm Coulee Field consists of three members: an upper shale, middle

silty dolostone, and lower shale. The Elm Coulee Oil Field is a stratigraphic trap with a pinch out in

the southwest and a digenetic facies change in the northeast. The primary reservoir is the silty

dolostone of the Middle Bakken Member.

This study uses digital logs, core data, thin sections, XRD analysis, DSTs, production data and Petrel

to characterize the Elm Coulee Field. Four cores are used to calibrate physical properties to digital

well logs, and are used in conjunction with core descriptions to construct detailed facies maps. XRD,

Quemscan and thin sections are used to determine mineral effects on logs and pore throat

geometries.

Elm Coulee is a low porosity, low permeability oil field. The primary recoveries are only 5-10%, which

indicate that the field is a prime candidate for secondary recovery. Since a water injection approach is

not ideal due to the poor quality of the reservoir, a carbon dioxide (CO2) flood method may be

preferred. This study will build two geomodels: case A and case B. Case A, which will be used in a

production history match scenario, is a two phase system that utilizes water and oil in the simulation.

Case B, which will be used in a secondary recovery scenario, is a three-phase system oil, water and

gas (CO2). The results of this study aim to guide the future of secondary development in low porosity,

low permeably reservoirs of the Williston Basin.

67

This study’s primary focus is to build a reservoir model with core calibrated data. A collaborative

effort to bring this study to reservoir simulation is the final phase of this study in which the reservoir

model will be used to test against production data.

68

Earth: Poster Morning 26

Mineral Replacement During Prograde and Retrograde Evolution of the Cerro Jumil Gold Skarn Deposit, Morelos, Mexico

Presenter: Jeffrey Edelen

Degree Program: Master's Department: Geology & Geological Engineering Advisor: Thomas Monecke Skarn deposits represent an important resource for precious metals such as gold and silver. However,

exploration for and within deposits is complicated by the overprinting nature of skarn development. A

better understanding of skarn formation, and crucially, the relative timing of mineralization, can be

gained through detailed characterization of the mineral replacement history during prograde and

retrograde development of skarn deposits.

The Cerro Jumil skarn deposit, ~12 km southwest of Cuernavaca, Mexico, developed within the

contact aureole of a feldspar porphyry intrusion into limestone of the Upper Jurassic to Lower

Cretaceous Morelos-Guerrero Platform. Metasomatism developed prograde and retrograde mineral

assemblages in both endo- and exoskarn contemporaneous with or following recrystallization of

limestone to marble. Prograde skarn is characterized by development of wollastonite-bearing

assemblages, mostly along bedding-controlled replacement fronts. Garnet (+/- pyroxene) skarn,

occurs as massive zones that replace wollastonite and destroy relict bedding. A first generation of

pyrite is associated with the garnet skarn, but appears to be largely unrelated to mineralization.

Retrograde tremolite extensively replaces wollastonite but not garnet. A second generation of pyrite

appears to have formed during the retrograde evolution of the exoskarn and is spatially associated

with epidote that occurs as disseminations and along fractures. The secondary pyrite, locally forming

≤25% by mode, has been entirely replaced by supergene limonite. Limonite is locally accompanied

by traces of malachite implying that the pyrite-rich exoskarn originally contained traces of chalcopyrite.

Elevated gold concentrations in these zones suggest mineralization was associated with this

sulfidation event.

The prograde and retrograde skarn assemblages are overprinted by pervasive supergene alteration

causing extensive replacement of sulfides by limonite. Supergene alteration seems to have been

important by redistributing gold on a local scale, making Cerro Jumil a more attractive bulk-mineable

deposit.

69

Energy: Poster Morning 27

Stratigraphy, Diagenesis and Fracture Distribution of the Three Forks Formation in MT, WY and SD

Presenter: Vasilisa Nekhorosheva

Degree Program: Master's Department: Geology & Geological Engineering Advisor: J. Frederick (Rick) Sarg The Three Forks Formation could yield as much as 2 billion barrels of petroleum (NDGS, 2010),

enhancing the sustainability of the Bakken resource play over time. Though the Three Forks

Formation is an important play in the Williston basin, previous outcrop studies date from the 1960s

and leave this formation almost uninvestigated in modern sedimentologic and stratigraphic terms.

The aim of the current work is to provide regional correlation of lithofacies, and to document fracture

distribution and trends in the formation based on ten outcrops in Wyoming, Montana and South

Dakota, and cores from 21 wells in the Williston basin. Core from the Big Horn basin, adjacent to a

number of the outcrop locations is described and correlated to the outcrops. The proposed

stratigraphic correlation of the Three Forks Formation shows lateral and vertical facies changes

based on both outcrops and cores.

Key stratigraphic surfaces are recognized from the core data and traceable throughout the study area

in well and outcrops. These major stratigraphic surfaces are a sequence boundary at the base of the

Three Forks, a transgressive surface in the middle part of the Three Forks, and a sequence boundary

at the top of the formation. Five facies associations are interpreted from eleven lithofacies and

grouped by depositional environments. They are, from the shallowest to the deepest: (1) upper

supratidal sabkha; (2) lower supratidal sabkha; (3) upper intertidal mud flat; (4) lower intertidal mud

flat; and (5) open marine.

Upper supratidal sabkha, has overall shallowing upward stacking pattern. Mosaic, nodular and

bedded anhydrite together with reddish and greenish silty claystone are dominant. Lower supratidal

sabkha, is greenish and reddish silty dolomitic claystones.

Upper intertidal mud-flat is composed of pinkish-grey siltsone with shrinkage cracks. Lower intertidal

mud-flat to shallow subtidal is composed of grey well-cemented bioturbated sandy siltstone. Open

marine, consists of pale brown to grey bioturbated silty very fine-grained sandstone.

The lower and the middle parts of the Three Forks are dominated by supratidal sabkha deposits,

whereas, the upper part is dominated by the intertidal and occasional open marine deposits.

70

Diagenetic features in nine analyzed microfacies include dolomitization, anhydrite precipitation and

cementation, compaction, clay cementation, dissolution and pyritization.

Fracture patterns were described and compared with fracture distribution in overlying Bakken

Formation. In most of the outcrop locations there is a systematic fracture distribution associated with

major faults. Fractures have predominant strikes of 50, 120, 250, and 320 degrees. General spacing

between major fractures of similar direction is 1m and less. Laminated layers tend to show more

fractures than more massive beds.

71

Earth: Poster Morning 28

New Strategies for Developing Vs30 Maps

Presenter: Leslie Godfrey

Degree Program: Master's Department: Geophysics Advisor: David Wald and Tom Boyd A limiting aspect of existing state-of-the-art strategies for generating estimated Vs30 maps from

geologic (e.g., Wills and others) and topographic base maps (e.g., Wald and others) is that, while

initially derived from and constrained by observed Vs30 values, both approaches fail to incorporate

the original Vs30 measurements back into the map that has been created. Furthermore, while both

predictive methods bring unique benefits to the problem, they are rarely used in combination with

each other and with the Vs30 measurements. Because many seismic-hazard mapping studies and

ground-motion prediction equations fundamentally rely on Vs30 as the site response explanatory

variable, these problems require further attention. In this study, we examine alternative strategies to

map Vs30 with estimated and observed Vs30 combinations, recognizing that the weighting at any

location should be made with consideration of the spatial uncertainties of each of the contributing

inputs. We examine kriging-with-a-trend and cokriging methodologies against gridded processing

strategies that allow more customization of the interpolation. The latter approach is analogous to

ShakeMap’s strategy of allowing a fundamentally predictive map to be both modified locally by

ground-shaking data as well as by biasing the overall estimation equations in favor of the data. In the

process of developing an optimal strategy for Vs30 map development, we are exploring: 1) the

incorporation of measured Vs30 back into the map, 2) the use of higher-resolution (9 rather than 30

arc-second) topography, 3) the employment of on-the-fly slope-based Vs30 correlations to better fit

regional trends of Vs30 datasets, and 4) the addition of many Vs30 data not available in earlier

studies. Ideal candidates for calibrating this methodology include Taiwan; Salt Lake City, Utah; and

California.

72

Earth: Poster Morning 29

Elastic Properties of Hydrate-Bearing Sediment

Presenter: Marisa Rydzy

Degree Program: Doctorate Department: Geophysics Advisor: Mike Batzle Gas hydrates are ice-like, crystalline solids which form from water and gas molecules under

conditions of elevated pressures and low temperatures. Natural gas hydrates occur worldwide in

shallow sediments where thermobaric conditions are appropriate for gas hydrate formation and

stability, such as oceanic sediment of outer continental margins or polar sediments on continents and

continental shelfs. Gas hydrate in sediments can exist in many morphologies, such as finely

disseminated between sediment grains, in shapes of nodules, veins, or layers, or even in form of

massive hydrate. As natural gas hydrate-cores are rare, costly, and almost always show some

degree of damage sediments containing laboratory-formed gas hydrates must be used as an

alternative in petrophysical investigations. Several hydrate formation methods, such as ice-seeding,

gas injection, or circulation of methane in solution can be used to grow hydrates in sediment. Often

THF-hydrate is used as an analogue to methane hydrate. Whether gas hydrates are formed in nature

or in the laboratory, the method with which the hydrate is generated determines its occurrence within

the pore space and distribution throughout the sample. Our new system was developed to grow

hydrates using various growth techniques. Initial tests have been completed of dry, wet, frozen, as

well as CH4 and THF hydrate-bearing Ottawa sand. Additional experiments were performed at the

ConocoPhillips Bartlesville Technology Center. The characterization of hydrate distribution and its

location in the pore space using imaging techniques, such as MRI and MXCT, is crucial for

understanding how these features affect the elastic properties of the hydrated sediment.

73

Energy: Poster Morning 30

Reservoir Characterization using Bandwidth Extended Seismic Data in Delhi Field, LA

Presenter: Sidra Shahid

Degree Program: Master's Department: Geophysics Advisor: Dr. Tom Davis Delhi Field is located in the northern part of the State of Louisiana. It is surrounded to the north by the

Monroe Uplift, to the west by North Louisiana Salt Basin (NLSB), and to the south by Mississippi

Interior Salt Basin (MISB). The field has been undergoing CO2 injection since November 2009. The

source of the CO2 is the Jackson Dome which is situated to the east of the field. Delhi Field is

stratigraphically and structurally complex. The reservoir consists of the Holt-Bryant sands of

Cretaceous age. The two main sands of interest are Paluxy and Tuscaloosa. Both these sands are

connected unconformably. The Tuscaloosa is divided into several sand bodies that are thought to be

Transgressive deltaic in nature. They are cleaner and well-sorted. Paluxy is a fairly continuous sand

underlying the Tuscaloosa sands. It has thought to be produced by Wave-dominated delta. The

sands thin updip making a regional wedge.

Denbury Resources Inc. shot a 3D seismic survey in June 2008 in the Delhi Field. The seismic

resolution of this survey within the reservoir zone is about 40 feet. Some of the Tuscaloosa sands are

thinner than 40 feet which makes it hard for them to be distinguished on seismic. For this reason, a

process of Bandwidth Extension was applied by Geotrace to the seismic data. This process

extrapolates the bandwidth of the seismic data both in the upper and the lower end of the frequency

spectrum. This method helps increase the seismic resolution following the rule that the limit of vertical

resolution of the seismic data is 1/8 of a wavelength. The acoustic impedance inversion done on the

bandwidth extended data shows the sand pattern that agrees considerably with the well log data.

However, the thinner sands are still hard to map using only the 3D acoustic impedance volume.

Another approach to map the sand pattern is to do a time-lapse analysis. As mentioned earlier, Delhi

Field has been undergoing CO2 injection since November 2009. RCP shot a monitor survey in June

2010 which covers part of the Delhi survey (baseline 2008). Bandwidth Extension was applied to the

RCP (monitor) survey as well. Acoustic Impedance inversion was done on the RCP survey too to

study the changes in acoustic impedance with the CO2 injection. The field had undergone water

injection in the 1940s so in many parts it has 100% brine concentration, esp. below the oil-water

74

contact. We have 35% residual oil in the field above the oil-water contact. To understand the changes

in density, P-wave velocity and S-wave velocity with CO2 injection, Gassman fluid substitution

modeling was done using the well 140-1 in the field. The modeling shows a decrease in acoustic

impedance with CO2 replacing brine while an increase in acoustic impedance with the decrease in

pore pressure, which in turn corresponds to an increase in effective pressure. There is a decrease in

effective pressure around the producer wells which shows a high permeability sand zone. Also, the

pressure regime increases updip which also has an effect on the time-lapse anomalies because the

physical properties of CO2 change with the change in pressure. The pressure changes can be

detected by S-wave velocity more than the P-wave velocity, as can be shown in the fluid substitution

modeling as well. Hence, it is recommended to do a shear wave study in the area to further

investigate the pressure changes in the region.

75

Environment: Poster Morning 31

Relevance of Desorption and Mineral-Dissolution Kinetics in Aquifer Metal Transport after Potential CO2 Leakage

Presenter: Lindsay Bearup

Degree Program: Master's Department: Hydrology Advisor: John McCray Prior to widespread application of geologic carbon sequestration, it is important to understand the

human health risks associated with possible carbon dioxide leakage into overlying drinking water

aquifers. One potential concern is the mobilization of metals resulting from a reduction in pH that

may occur as a result of the introduction of carbon dioxide. Metal release due to desorption and

mineral dissolution are both potentially important metal mobilization mechanisms. Reactive transport

studies can be computationally expensive and therefore often require the simplification of hydrological

and/or geochemical processes. For example, many models assume that desorption occurs

instantaneously and apply thermodynamic equilibrium models, or that mineral dissolution is so slow

that it is not relevant for typical groundwater residence times. This study investigates hydrochemical

conditions whereby kinetic metal desorption or dissolution is relevant. Desorption and dissolution

kinetic rate information was compiled from the literature. Literature values for desorption and

dissolution rate constants vary over orders of magnitude. A Damkohler analysis using the compiled

rates and realistic groundwater velocities was conducted to evaluate the groundwater residence times

or transport distances where kinetics may influence the aqueous metal concentrations. For the

desorption analysis, kinetic rates were obtained for selected metals, including lead, arsenic, cadmium,

zinc, copper, nickel, barium and mercury. The Damkohler analysis suggests that metal desorption

kinetics are potentially influential at residence times up to about 2 years, depending on the metal. For

residence times greater than this, metal mobilization can be modeled simply using equilibrium

sorption equations (e.g. Kd). For mineral dissolution, several common minerals were considered:

Quartz, Calcite, Albite, Anorthite, Kaolinite, Muscovite, Alkali Feldspar, Goethite, and Galena. The

Damkohler analysis suggests that kinetic mineral dissolution should be considered over nearly all

residence times and length scales relevant to groundwater modeling, provided the rate, solubility, and

availability of the mineral results in a non-negligible metal concentration. Results demonstrate that, for

some groundwater residence times, both dissolution and desorption may be important. Using the

Damkohler analysis as a guiding framework, the relative importance of desorption and dissolution

76

kinetics during groundwater transport are modeled using the geochemical model PHREEQC for

selected relevant aquifer conditions. Ultimately, this analysis can provide constraints on metal

release in aquifers during transport for the purpose of sophisticated risk assessments.

77

Environment: Poster Morning 32

Reducing hydrograph uncertainty through subsurface characterization

Presenter: Steven Meyerhoff

Degree Program: Doctorate Department: Hydrology Advisor: Reed Maxwell Subsurface heterogeneity in saturated hydraulic conductivity is one of the largest, if not the largest,

source of uncertainty in hydrology and hydrogeology. While previous studies have focused on how

this uncertainty propagates to subsurface transport and how characterization activities reduce this

uncertainty. However, recent work has demonstrated that uncertainty in hydraulic conductivity can

also impart significant uncertainty in runoff processes. Here, the role of site characterization in

reducing hydrograph uncertainty is demonstrated numerically. A fully-integrated hydrologic model is

used in a hypothetical experiment where a control hillslope is generated using correlated, Gaussian

random fields. Direct measurements of hydraulic conductivity at varying density are obtained from

this control simulation and used to condition ensembles of equally-likely realizations. The

hydrographs, resulting from integrated flow simulations for each realization, are shown to much more

accurately match the control. This implies that substantial reduction in hydrograph uncertainty may

be realized through site characterization.

78

Environment: Poster Morning 33

The bioaccumulation and uptake kinetics of a metal oxy-anion by the freshwater bivalve, Corbicula fluminea

Presenter: Leigh Simmons

Degree Program: Master's Department: Hydrology Advisor: Ron Cohen Laboratory experiments were undertaken with the aim of characterizing the uptake of metals which

exist in aqueous solution as oxyanions, by a freshwater bivalve Corbicula fluminea (Asiatic clam).

Corbicula is native to large areas of Asia, Africa and Australasia and a successful invasive species on

all other continents besides Antarctica. As of 2007, it has been documented in the natural waters of

42 of the continental United States and its range continues to expand. Its fecundity is such that it has

been observed at population densities in excess of 2000 individuals per m2, and is particularly

successful in disturbed habitats. Corbicula is primarily a filter feeder and lives in the upper sediment.

The literature shows that Corbicula is an efficient bio-accumulator of metals (Cadmium and Zinc in

particular) that exist as simple cations in aqueous solution. The uptake of metal oxy- and hydroxy-

anions has not been widely studied.

We hypothesize that Corbicula offer a potential route into the food chain for the toxic species Cr(VI)

from natural waters that are considered “clean” under current environmental regulations. We present

experimental data to evaluate the hypothesis, and analyze our results in the context of several

existing bioaccumulation models.

79

Energy: Poster Morning 34

Propagating uncertainty from the subsurface to the atmosphere using conditional stochastic groundwater-to-atmosphere simulations

Presenter: John Williams

Degree Program: Doctorate Department: Hydrology Advisor: Reed Maxwell Feedbacks between the land surface and the atmosphere, manifested as mass and energy fluxes,

are strongly correlated with soil moisture under dry conditions, making soil moisture an important

factor in land-atmosphere interactions. We show that uncertainty in subsurface properties propagate

into atmospheric variables, and therefore reduction of uncertainty in hydraulic conductivity will

propagate through land-atmosphere feedbacks to yield more accurate weather forecasts. Using

ParFlow-WRF, a fully-coupled groundwater-to-atmosphere model, we demonstrate responses in

land-atmosphere feedbacks and wind patterns due to subsurface heterogeneity. An idealized domain

with heterogeneous subsurface properties is used in ensembles of coupled-simulations. These

ensembles are generated by varying the spatial location of the subsurface properties, while honoring

the global statistics and correlation structure, an approach common to the hydrologic sciences but

never-before used in atmospheric simulations. We clearly show that different realizations of hydraulic

conductivity produce variation in soil moisture, latent heat flux and wind for both point and domain-

averaged quantities. A single random field is chosen as the “Actual” case and varying amounts of

hydraulic conductivity data are sampled from this realization. Using these conditional Monte Carlo

simulations, we incorporate subsurface data into the ensemble of realizations. We also show that the

difference between the ensemble mean prediction and the Actual saturation, latent heat flux and wind

speed are reduced significantly via conditioning of hydraulic conductivity. By reducing uncertainty

associated with land-atmosphere feedback mechanisms, we also reduce uncertainty in both spatially

distributed and synoptic wind speed magnitudes, thus improving our ability to make more accurate

forecasts important for many applications such as wind energy.

80

Earth: Poster Morning 36

Matrix Multiplication on GPUs with On-line Fault Tolerance

Presenter: Chong Ding

Degree Program: Doctorate Department: Math & Computer Science Advisor: Zizhong Chen Commercial graphics processing units (GPUs) prove their attractive, inexpensive in high performance

scientific applications. However, a recent research through Folding@home demonstrates that two-

thirds of tested GPUs on Folding@home exhibit a detectable, pattern-sensitive rate of memory soft

errors for GPGPU. Fault tolerance has been viewed as critical to the effective use of these GPUs. In

this paper, we present an on-line GPU error detection, location, and correction method to incorporate

fault tolerance into matrix multiplication. The main contribution of the paper is to extend the traditional

algorithm-based fault tolerance (ABFT) from offline to online and apply it to matrix multiplication on

GPUs. The proposed on-line fault tolerance mechanism detects soft errors in the middle of the

computation so that better reliability can be achieved by correcting corrupted computations in time.

Experimental results demonstrate that the proposed method is highly efficient.

81

Environment: Poster Morning 37

Measuring the Impact of a High School Intervention on Students’ Attitudes in Information Technology: Validation and Use of an Attitude Survey

Presenter: Anna Forssen

Degree Program: Master's Department: Math & Computer Science Advisor: Barbara Moskal Attracting and retaining women and minorities in science, technology, engineering and mathematic

(STEM) fields is a common challenge faced by today’s universities. In response, various projects that

are underway across the nation seek to increase these groups’ interests in and, hopefully, their

eventual participation in STEM. A challenge to these efforts has been measuring, in the short term,

the impact of educational programs on students’ interests with respect to STEM fields. Many of the

current attitude surveys are outdated or have limited validity. This project describes the validation of

an attitude survey which was designed to measure high school students’ attitudes with respect to the

field of information technology (IT). The attitude survey contains two researcher-defined factors:

general interest in IT and perception of gender stereotypes in IT. The attitude survey successfully

captured differences in students’ attitudes across year of program implementation and ethnicity in a

high school IT educational program.

82

Environment: Poster Morning 38

Near-real-time Analysis Algorithm for REACTS

Presenter: Douglas Hakkarinen

Degree Program: Doctorate Department: Math & Computer Science Advisor: Tracy Camp Subsurface aqueous contamination is a widespread environmental problem often associated with

legacy mining and milling sites. Bioremediation is a method to address the typically vast scale of

subsurface contamination. Current bioremediation suffers from long durations between data

collection and analysis performed. We present our work-in-progress on a closed-loop wireless

bioremediation system, REACTS (near-REal-time Autonomous bioremediation of ConTamination in

the Subsurface). Specifically, we present the initial development of a parallel algorithm that is needed

for near-real-time analysis of collected geophysical data. The speedup for the algorithm is compared

over several versions, including unoptimized serial, optimized serial, a naive parallel approach, an

improved parallel approach, and a reduced communication approximation of the improved parallel

approach. Overall, speedup of several orders of magnitude is seen from the unoptimized version to

the best of the algorithms on equivalent hardware.

83

Energy: Poster Morning 39

Algorithm-Based Recovery Scheme for Extreme Scale Computing

Presenter: Hui Liu

Degree Program: Doctorate Department: Math & Computer Science Advisor: Zizhong Chen We present an algorithm-based recovery scheme for Exascale computing, which uses both data

dependencies and communication-induced redundancies of parallel codes to tolerate fault with low

overhead. For some applications, our scheme significantly reduces checkpoint size and introduces no

overhead when there is no actual failure in the computation. Fault tolerance Newton's method by

tailoring our scheme to the algorithm is performed. Numerical simulations indicate that our scheme

introduces much less overhead than diskless checkpointing does.

84

Energy: Poster Morning 40

Enabling Distributed Building Control With Wireless Sensor Networks

Presenter: Alan Marchiori

Degree Program: Doctorate Department: Math & Computer Science Advisor: Qi Han Energy is a precious resource and as electronic devices (e.g., tablets, smart phones, Internet-

connected appliances) and electric cars become ubiquitous, the demand for energy will continue to

increase. To meet this demand and enable the integration of renewable resources, electrical

distribution networks are beginning to adopt smart-grid technologies. This provides bidirectional

communication between the distribution grid and the electric meter. The question of how appliances

within the home will interface with the smart-grid is still an open question. We propose to use

wireless sensor networks as a platform to enable detailed household monitoring, demand response,

load scheduling, occupancy-based control, intelligent lighting, and other general-purpose control

strategies. In this approach, the smart-grid interface is a single input to the building control system

which consists of a wide variety of other sensors and supports many applications that greatly extend

the capabilities of the smart-grid.

We have made four significant contributions towards achieving these goals. First, the development of

two circuit-level non-intrusive load monitoring algorithms. Using these algorithms we have

demonstrated the ability to separate the energy consumption of three devices with less than 3% error

from an aggregate measurements. Second, the development of reliable multicast and broadcast

network protocols to facilitate peer-to-peer data sharing using WSN-class nodes. These protocols

achieve high packet delivery (>97%) and low latency (5ms per hop) which is critical for this

application. Third, the evaluation of 10 strategies for energy savings. The most significant result from

this study was demonstrating the need for automation because less than half of the participants

performed the more tedious tasks of “unplug when not in use” and “unplug the TV.” Fourth, the

development of a WSN-based BAS platform with evaluation in both offices and a residential home.

Our preliminary results show 7% - 14% energy savings using occupancy-based control.

85

Environment: Poster Morning 41

Developing a Wireless Device to Monitor Human Traffic Through Lift-Served Backcountry Access Gates

Presenter: Marc Rubin

Degree Program: Doctorate Department: Math & Computer Science Advisor: Dr. Tracy Camp Many ski resorts in the United States have lift-served backcountry access gates that provide quick

and easy access to "slackcountry" runs for resort patrons. Although these gates provide easy access

to uncontrolled and dangerous avalanche terrain, there is currently no monitoring or tracking of the

human traffic passing through. If an avalanche were to occur in one of these popular areas, search

and rescue volunteers would not know how many people to search for, whether or not they were

equipped with the proper safety equipment (i.e., avalanche transceiver), and when they were last

seen. As funded by an American Avalanche Association Graduate Student Research Grant, we have

designed and implemented a wireless backcountry access gate monitor capable of autonomously

tracking human traffic. More specifically, are device uses infrared sensors and an avalanche beacon

receiver to count the number of humans passing through the gate with and without transceivers. This

information is communicated wirelessly to a basestation node in near real-time, allowing for search

and rescue volunteers to monitor human traffic. In the future, this data can be used to not only aid in

search and rescue, but also evaluate the impact of avalanche forecasts on backcountry user behavior.

86

Earth: Poster Morning 42

Normal Mode Solution of the Elastic Pekeris Waveguide Problem with Comparisons Against Laboratory Data

Presenter: Joseph Schneiderwind

Degree Program: Master's Department: Math & Computer Science Advisor: Jon M. Collis Many underwater sound models are based on limiting approximations or are strict numerical solutions

to the wave equation. The method presented in this work derives an analytic solution for underwater

acoustic transmissions in a range-independent waveguide using an integral transform technique.

Specifically, acoustic transmissions are simulated by modeling a compressional wave acoustic source

within a liquid layer with a pressure-release boundary above, and an elastic solid semi-infinite

halfspace below. Normal mode solutions, based on integral transformation techniques, are

implemented with numerical software to simulate displacement potential of transmitted sound waves.

Solutions are compared to a normal mode solution of the Pekeris waveguide problem [C.L. Pekeris,

Geo. Soc. Am., Memoir 27 (1948)], which assumes a fluid bottom of greater density to approximate

the ocean bottom. A fluid bottom eliminates shear wave contributions and so simplifies continuity

conditions in modeling. Further, as the shear modulus of an elastic bottom approaches zero, the

medium takes the characteristics of a fluid. Due to a low resultant shear modulus, low shear wave

speed makes comparisons possible between the elastic Pekeris waveguide and the classic Pekeris

waveguide. As shear wave speed decreases, the elastic Pekeris waveguide approaches behavior

similar to the classic Pekeris waveguide. The analytical normal mode solutions of the fluid and elastic

Pekeris waveguide problems are benchmarked against experimental data collected at the U.S. Naval

Research Laboratory in Washington D.C. The experiment took hydrophone measurements at

constant depth and varying distance from a stationary sound source in a water tank, creating virtual

array data. The tank contained a suspended, nearly flat, polyvinyl chloride slab that was used to

represent an elastic seafloor. This work also discusses solution dependence on acoustic horizontal

wavenumbers and the difficulties involved with obtaining them.

87

Earth: Poster Morning 43

IMAGINE: Intelligent Monitoring and Geophysical INspection of Embankment dams

Presenter: Kerri Stone

Degree Program: Doctorate Department: Math & Computer Science Advisor: Tracy Camp Earthen dams are critical components in our nation’s water resource infrastructure, but many are at or

near their intended design life. As these structures age, the development of seepage, settlement,

and internal erosion impact their safety and effective operation. The U.S. Army Corps of Engineers

estimates that there are over 15,000 high-hazard dams in the U.S. that require annual inspections;

the actual frequency and extent of such inspections varies significantly. To effectively monitor our

nation’s dam inventory, regulation agencies are faced with the challenge of increasing both the spatial

density and temporal frequency of monitoring. To improve safety margins and ensure water

availability, advanced monitoring techniques are required.

We have developed a wireless geophysical hardware platform and accompanying network protocols

to enable continuous, long-term wireless dam inspection using geophysical monitoring techniques

such as self-potential, resistivity, and seismic. The sensor data autonomously collected by our

platform can be used to quickly indentify seepage within the dam subsurface. One challenge to

enable accurate detection is determining the geospatial location of collected geophysical sensor data.

Since using a GPS chip for location is undesirable due to high costs (both hardware and energy

costs), we have developed a three-dimensional in-network localization protocol that uses wireless

measurements to produce sensor location estimates. In this poster, we present our hardware design,

our wireless sensor network localization protocol, and the results of our initial field site deployment.

Our work enables turnkey, continuous, and non-invasive dam inspection, improving subsurface

knowledge and decreasing the probability of catastrophic failure.

88

Environment: Poster Morning 44

Green Carpeting from Novel Biobased Plastics

Presenter: Daniel Harrison

Degree Program: Undergraduate Department: Metallurgy & Materials Science Advisor: Dr. Liang Abstract.

Blends of Poly(L-Lactic Acid)(PLA) and Poly(11-aminoundecanoic acid)(PA11) have been

investigated as a renewable alternative to petroleum based Nylons. In particular these blends are

suitable for use in green carpeting, which is a growing market with demand for biobased plastics.

Literature shows that properties including toughness and impact strength were poor for intermediate

blends due to the lack of effective compatibilization. Block copolymers can be used as compatibilizer

to improve the properties of the blends. Melt polymerization of low molecular weight PLA and 11-

aminoundecanoic acid was investigated as a method to prepare these copolymers. Commercial PLA

was hydrolyzed to low molecular weight for this purpose. A model for the change in molecular weight

over time was derived and verified experimentally by dilute solution viscometry. 11-aminoundecanoic

acid and oligomeric-PLA were melt polymerized in and characterized by FTIR. The product was

extracted in chloroform to remove any PA-11 homopolymer which is insoluble in chloroform. Peaks at

3300 cm-1, 1650 and 1550 are characteristic of PA-11 and appear in the chloroform extract spectra

indicating that copolymer was successfully formed.

89

Energy: Poster Morning 45

Development of a Dynamic Atom Probe Tomography System

Presenter: Rita Kirchhofer

Degree Program: Doctorate Department: Metallurgy & Materials Science Advisor: Brian P. Gorman Current atom probe tomography (APT) instruments are capable of providing composition analysis of a

specimen at the atomic scale using time-of-flight mass spectroscopy with a spatial resolution of about

2 Å. However, in order to produce accurate 3D reconstructions of the specimen volume it is

necessary to have knowledge of the specimen geometry and the internal interfaces (e.g. grain

boundaries, precipitates, or layer structures) with a resolution of 1 nm. High spatial resolution

information about the specimen nanostructure can be achieved using HRTEM and STEM imaging.

Unfortunately, chemical analysis in these instruments using EDS and EELS only provide chemical

information with 1 at.% sensitivity. Previous work has demonstrated that is possible to monitor the

specimen geometry ex-situ by transferring the APT specimen to the TEM and back; however,

challenges arise while transferring specimens between instruments.

The Dynamic Atom Probe (DyAP) tomography system currently in development at CSM will

demonstrate that is possible to couple the high chemical sensitivity of an APT with the high spatial

resolution of a STEM. The DyAP integrates a 30 kV electron column (UHV compatible with 1nm

spatial resolution) and detectors into an existing state-of-the-art APT system (Cameca LEAP

4000XSi). In the DyAP, focused electron pulses will be generated using a field emission electron

source and optics. Three different electron detectors will be used, each enabling a different

experiment to be conducted: (1) Everhart-Thornley scintillator for secondary electron imaging, which

will be used for specimen positioning and imaging; (2) solid state transmission detector for bright-field

and dark-field STEM imaging; and (3) phosphor detector for STEM diffraction mapping of the

specimen. Electron diffraction experiments with atomic scale resolution and chemical information with

ppm sensitivity can be performed in the DyAP; this will enable examination of physical processes at

the atomic scale with ns temporal resolution.

90

Energy: Poster Morning 46

Characterization of a Composite Ceramic Membrane Reactor for Fuel Processing.

Presenter: Anthony Manerbino

Degree Program: Doctorate Department: Metallurgy & Materials Science Advisor: Neal Sullivan Over the past decade proton conducting ceramics have received a high amount of interest because

of their possibility of the wide range of applications. They can be used for proton conducting fuel cells

(PCFC’s), steam electrolyzers, membrane reactors, and related intermediate temperature

electrochemical devices. Potential for methane to natural gas or oxygen to methanol through a partial

oxidation process with oxygen-selective membranes is a widely sought after technology. Another

major application is hydrogen separation from steam reforming of gases. Hydrogen released from

coal gasification can provide power generation in the reactor while the carbon dioxide can remain at

high pressures for carbon capture and storage providing clean coal power generation.

For these devices to work a thin dense membrane of a protonic ceramic electrolyte needs to be

supported by a porous substrate. A co-fired cermet consisting of reduced 68 wt% NiO and the proton

conductor, BaCeO.2ZrO.6YO.203-δ (68NiBCZY26), is described. Shown here is a composite of two

distinct interconnecting and percolating phases, Ni and BCZY26, with approximately 25% open

porosity produced from a fully dense sintered ceramic body. This is possible because, unlike Ni-YSZ

used with SOFCs, which requires initial porosity for gas phase reduction of NiO, the protonic ceramic

phase can transport hydrogen to the NiO grains and remove the water vapor reaction product of

reduction by solid-state diffusion. This characteristic of a proton ceramic makes it possible to begin

reduction of the NiO phases even before gas percolation channels are formed. A major advantage of

these transport properties allows for the elimination of pore formers during fabrication allowing a thin

dense membrane to be applied without having to bridge open pores at the surface or develop pin-

holes during burn-out of pore-forming organic binders. Furthermore, the processing window for

sintering is expanded, permitting the microstructure of the dense membrane to fully develop, since

there is no requirement to limit the time at peak sintering temperature, which would otherwise cause

the pores to collapse.

A second effect to be noticed during the insitu reduction of NiO by solid-state diffusion is the unusual

nickel microstructure. With this microstructure it possible to engineer electrical properties and pore

91

size distribution for a wide range of specialized applications by adjusting the amount and starting

grain size of NiO in the sintered body. The cermet described above was prepared by the process of

solid-state reactive sintering where the protonic ceramic phase was formed from precursor oxides

and carbonates. With no initial calcination step needed ceramic fabrication is cost-effective.

92

Earth: Poster Morning 47

Extreme value statistical analysis to determine the endurance limit of a 1045 induction hardened steel alloy

Presenter: Andrew Nissan

Degree Program: Doctorate Department: Metallurgy & Materials Science Advisor: Kip O. Findley Surface hardened components are used in fatigue critical applications such as axles and gears.

Inclusions are critical microstructural features where fatigue cracks have been observed to nucleate

in these parts. In this investigation, the effect of inclusion populations on fatigue performance of

induction hardened 1045 steel was examined. The steel was heat treated to have a tempered

martensite starting microstructure and was induction hardened to two different case depths. Utilizing

extreme value statistical analysis, the largest inclusion as well as the largest inclusion in each of five

categories, MnS, MnCaS, MnAlS, Al2O3, and Al2O3-MgO, was estimated for a critically stressed

area in a fully reversed cantilever bending fatigue sample. The inclusion size estimates were used to

predict the endurance limit of the sample with a fracture mechanics-based model. This methodology

has been traditionally used for homogeneous materials but has been modified here for bending

fatigue and inhomogeneous case hardened material. The predicted endurance limits are closely

correlated to experimentally measured endurance limits.

93

Earth: Poster Morning 48

Measurement of Explosive Properties in Alternative Mixes of ANFO

Presenter: Christoph Hurley

Degree Program: Master's Department: Mining Engineering Advisor: Dr. Vilem Petr Ammonium nitrate based explosives consist of an ammonium nitrate oxidizer, a fuel source (typically

fuel oil), and, in some cases, additional additives to change the detonation properties of the

explosives. The detonation velocity of these explosives is also highly dependent on the charge size,

shape, and level of confinement This poster presents ongoing work at the CSM Advanced Explosives

Processing Group (CSM AXPRO) on the effect of alternative fuels, varying charge sizes and shapes,

particle sizes, and moisture content on the detonation velocity of ammonium nitrate (AN) based

explosives. Coal dust (CD), confectioner’s sugar (CHO) and fuel oil (FO) were used as fuels. Crushed

AN with a minimum of 60% passing a 40 mesh screen was used for most tests. One test series was

conducted with tightly controlled particle size ranges of: uncrushed prill (2-mm), crushed prill between

35 and 48 mesh (0.420 – 0.297-mm); and crushed prill between 70 and 100 mesh (0.210 – 0.149-

mm). All mixes were stoichiometric with fuel percentages of 8% (CD), 16% (CHO) 5.7% (FO) by

weight prior to the addition of additives. Detonation velocity was measured using the MREL Handitrap

II system. Dry charges fueled with coal dust showed a decrease in VOD of 5.5% when compared to

conventional crushed ANFO. ANCHO showed a less than 1% difference in VOD when compared to

ANFO. Moisture was added to ANCD and ANFO charges in the amount of 2%, 4%, and 6%, with

ANCD charges also mixed with 8% and 10% moisture by weight. A significant increase in VOD was

seen in the 2% moisture added mixes for both ANFO and ANCD. This is contrary to the generally

accepted literature.

ANFO mixes were also tested in 3 charge geometries. These were: planar charge with a cross

sectional dimension of 20-cm x 5-cm with a charge length of 90-cm; 7.5-cm diameter cylinder; and

10-cm diameter cylinder. All were well confined. It was seen that the planar charges exhibited the

same VOD as the 7.5-cm diameter cylinders, despite having a significantly larger cross sectional area

and total energy content. This finding leads to the idea of improving mining blasting through closely

spaced clusters of blast holes of small diameter. These clusters of holes could be used to increase

the energy delivered to the rock mass without increasing VOD, as is seen when using larger diameter

94

holes, thereby improving fragmentation while minimizing the production of fines. More work is

necessary to validate this new blasting technique.

95

Energy: Poster Morning 49

Investigations of Heavy Foam Properties for Deep water Drilling

Presenter: Hope Chunlei Liu

Degree Program: Doctorate Department: Petroleum Advisor: Dr. Jeniffer Miskimins A unique problem in drilling oil and gas wells offshore is the narrow window between the formation

pore pressure and fracture pressure. The current drilling practice with constant-density drilling fluids

requires excessive casing programs and larger, more expensive rigs to drill offshore wells. Although

different techniques, such as dual-gradient drilling, have been used to ease the problem, they are

limited to certain geological conditions. This study investigated the properties of heavy foams that

may be used in offshore drilling to solve the problem. In this study we performed a systematic

investigation of heavy foams which are defined as the foams generated using weighted water and

brine. Our study focused on rheological modeling, polymer selection, and foam properties. This paper

presents our experimental results from 5 heavy foam systems namely water-barite-nitrogen system,

water-hematite-nitrogen system, water-KCl-nitrogen system, water-CaBr2-nitrogen system, and

water-CaBr2-barite-nitrogen system. We conclude that all of the investigated heavy foams behave as

Bingham-Plastic fluids with an exception that the heavy foams from the water-barite-nitrogen system

show Power-Law behavior. The best heavy foams from the water-CaBr2-nitrogen system were

generated using Guar Gum as viscosifier. Foams from the water-CaBr2-nitrogen system have better

stability and quality than those from the water-KClnitrogen system. Data from this study may serve as

a base for selecting heavy foams in drilling offshore oil and gas wells.

96

Earth: Poster Morning 50

Rheological Properties of Xanthan/Borate Gel System

Presenter: Mehdi Mokhtari

Degree Program: Doctorate Department: Petroleum Advisor: Dr. Dwayne Bourgoyne Crosslinked polymer gels have been extensively used in upstream petroleum industry for water shut-

off, profile modification and hydraulic fracturing. The successful history of those applications has led

to opening of a new frontier for solving one of the most severe and costly drilling problems known as

lost circulation. Xanthan chains can be crosslinked by borate ions released from borax in appropriate

pH conditions and consequently convert to a three-dimensional gel structure that can block thief

zones.

Steady shear viscometry method was applied in which the gel system was under constant shear rate

while apparent viscosity had been recording. Apparent viscosity is almost constant up to initial

gelation time in which viscosity starts growing up. Initial and final gelation times, initial and final

viscosities are parameters that can describe the behavior of a gel system and are reported in this

paper. The effects of concentrations of xanthan blended with borax, a pH-controller, and magnesium

chloride as well as mixing time, shear history and temperature were investigated. Moreover empirical

models are suggested for prediction of initial and final gelation times/viscosities as a function of the

above-mentioned variables.

Although the initial gelation time decreases when mixing periods increases, the summation of those is

constant. In other words, the reaction causing gelation cannot be postponed by mixing. This is also

true when the gel is at rest. On the other hand, it was observed that gels with high-shear rate history

demonstrate similar initial gelation time as gels under 3 rpm steady shear. Moreover this low shear

rate was found to not interfere in initial gelation time. Temperature and pH-controller reduce the time

required for initiation of gelation. Magnesium chloride reduces the viscosity. Consequently the final

gel is weaker and occurs in a longer time. Xanthan blended with borax contributes to the system

mainly by increasing the viscosity. Finally the empirical models can be used to manage lost

circulation treatment job. They help to have enough time to pump the pill with a known viscosity and

wait enough on a gel with a desired quality.

Moreover, Thixotropic, shear thinning by time, and rheopectic, shear thickening by time, are

behaviours that were investigated by using steady shear viscometry method.

97

The time-dependency of this gel system is estimated by Weltman model in which viscosity can be

obtained at any time under steady shear conditions. The system exhibits a weak thixotropic behaviour

up to sol-gel transition time and strong rheopectic behaviour afterwards. The coefficients of Weltman

model (1943) are obtained by regression analysis and the goodness of fit values show reasonable

fitting between the experimental data and the model.

However the Weltman model is limited due to its dependency on constant shear rate data. Therefore,

Tiu and Boger model (1974) was also investigated. This model predicts shear stress as a function of

both shear rate and time. It consists of a structural parameter which describes the structure

breakdown by time and a rheological model. Zero order kinetic equation was found appropriate for

determining the structure parameter and the Herschel-Bulkley model was found to be the best fitting

rheological model based on residual mean squares of samples presented by box-whisker plots. A

modified low shear yield point model is also suggested for this gel by studying the shear stress at

very low shear rate to be substituted in the Herschel-Bulkley model. As a result, the Tiu and Boger

model can describe the rheological properties of this gel as a function of time precisely as well as

straightforwardly.

98

Energy: Poster Morning 51

Iterative Coupled Experimental-Numerical Evaluation of Dispersivity in Fractured Porous Media Using Micromodel System

Presenter: Milad Saidian

Degree Program: Doctorate Department: Petroleum Advisor: Dr. Manika Prasad In order to obtain a reliable prediction of solute transport in fractured porous media, the microscale

complex parameters such as dispersivity and dispersion coefficients, which are still challenges in

literature, need to be evaluated. In this study a new iterative algorithm is developed to evaluate

dispersivity in fracture and matrix, distinctly. The novelty of proposed algorithm is using mathematical

model of solute transport in fractured porous media coupled with the obtained experimental data

iteratively. A fractured glass micromodel has been specifically designed to visualize the interaction

between fracture and matrix during displacement of n-Decane by n-Octane at constant rate. The

transient concentration profiles have been obtained from color intensity analysis of pictures taken

during the experiments. Convection diffusion and Brinkmann’s equations are simultaneously

numerically solved using finite element method on a grid, generated based on the structural

characteristics of the experimental model. The similarity between numerical and experimental model

has been enhanced by reducing the assumptions which were applied in previous related studies. The

iteration is performed on velocity components of solute transport and longitudinal as well as

transversal dispersivity values. The results of this work illustrate the successful application of a new

coupled numerical-experimental iterative algorithm for evaluating solute dispersivities in fractured

porous media. Obtained dispersivities are in the range of available data in the literature for different

porous medium. The major significance of this work is the robustness of proposed iterative algorithm

which results same dispersivity values at different initial guesses. The proposed method could be

useful for studying effective parameters such as injection rate and geometry of fracture and matrix on

the dispersivity value, and the behavior of dispersivity value with time and traveled distance, which

are still subject of challenge in literature.

Key Words: Dispersivity, Fractured Reservoirs, Micromodel, Numerical Modelling, Iterative Method

99

Energy: Poster Morning 52

Preparation of microgel nanospheres and their application in EOR

Presenter: Lei Wang

Degree Program: Doctorate Department: Petroleum Advisor: Xiaolong Yin Polyacrylamide microgel nanospheres were synthesized by inverse microemulsion polymerization

with redox initiators on the basis of the preparation of water-in-oil (W/O) microemulsion with diesel oil,

sorbitan monooleate, polyethylene glycol sorbitan monostearate, acrylamide, N,N’-

methylenebisacrylamide and deionized water. By adopting a two-stage synthesis process, polymer

content can be substantially lifted from 24.43 wt% to 35.04 wt%. Moreover, it’s proved that

nanospheres can expand from the initial 50nm or so to several microns after water absorption.

In this paper, synergy effects of the emulsifiers (sorbitan monooleate and polyethylene glycol sorbitan

monostearate) separately with alkalis and other surfactants are firstly proposed and verified via the

achievement of ultra-low interfacial tension (IFT). Profile control and oil displacement tests in

sandpacks further demonstrated the promising future of nanospheres in enhanced oil recovery (EOR)

with incremental oil recovery over 20% OOIP after primary recovery.

100

Energy: Poster Morning 53

Experimental Investigation of Biosurfactants Produced by Bacillus Species and their Potential for MEOR

Presenter: Saeed Zargari

Degree Program: Doctorate Department: Petroleum Advisor: Manika Prasad Enhanced oil recovery techniques are usually controlled by the cost associated with them as the

fluctuation in the oil price, over the last years, is now commercially accepted. Microbial Enhanced Oil

Recovery (MEOR) is one of the technologies that can potentially be implemented with an

exceptionally low operating cost. Apart from economical interests of MEOR, microbial bio-products

are found to be more environmentally friendly. Besides, some of the bio-products are more chemically

stable in reservoir conditions of high temperature and salinity.

In this study, biosurfactants produced by Bacillus species isolated from oil contaminated soils from

different sources were investigated. Eight different production media using different sugars as carbon

source such as: glucose, sucrose and cane molasses were tested on three of the potential strains to

select the best medium that maximized the production of biosurfactants which was supported by the

interfacial tension (IFT) reduction. All isolates were tested on their potential media to screen for the

best biosurfactant producer among the available strains. It was found that the strain W19 gave the

maximum IFT reduction (from 46.6 to 3.28 mN/m) in 16 hours of incubation when grown in medium 7.

Further studies on W19 were done to test the interaction of biosurfactant produced by this strain with

porous media in core flooding experiments as a tertiary recovery stage. The results showed high

potential of using this bacterium during ex situ MEOR applications where 10% of residual oil was

recovered after injecting the biosurfactant solution. Further recovery was observed after concentrating

the same biosurfactant solution where additional 13% of residual oil was recovered.

101

Energy: Poster Morning 54

Numerical Modeling of Drake Landing Borehole Thermal Energy Storage System

Presenter: Ronglei Zhang

Degree Program: Doctorate Department: Petroleum Advisor: Yu-shu Wu A 3D full-scale transient fluid flow and heat transfer model for Borehole Thermal Energy Storage

System (BTES) at the Drake Landing Solar Community (DLSC) is established by using EOS3 module

of TOUGH2 family code. The model realistically imposes the time-dependent heat injection and

withdrawals rates measured at the site. A total of 10 continuous years of annual cycle are simulated.

The modeling results are compared with the measured temperature data over the simulation times

and space. The time-dependent temperature distributions within the borehole region agree well with

the measured profiles. For the region around the end of the loop, considerable differences in

temperature between the measured and simulated are found, and the effecting factors resulting in the

differences are analyzed thoroughly. The final efficiency of the DLSC BTES site is predicted to be

around 27%.

The well established 3D model can be used as a powerful tool to quantitatively examine controlling

factors such as the volume and geometry of the BTES space, number and dimensions of the

boreholes, heating/cooling scheme, and soil and rock’s mechanical, hydrological, and thermal

properties, particularly if the evaporation and condensation and convective heat transfer concepts are

explored for potentially more effective heat transfer and efficient system options. Ultimately this model

can be used to quantify the efficiency and the long-term performance of various BTES concepts in

different community settings.

102

Energy: Poster Morning 55

Dynamics of Photo-Generated Carriers in Silicon Nanowires Through Time-Resolved Terahertz Spectroscopy

Presenter: Matthew Bergren

Degree Program: Doctorate Department: Physics Advisor: Tom Furtak Understanding charge transport in semiconductor nanowires and other nanostructures is central to

their application in any electro-optic device. However, the difficulty in physically connecting wires to

nanostructures makes studying carrier dynamics in a material challenging. Time-resolved terahertz

spectroscopy (TRTS) is an emerging noncontact electrical probe that is capable of providing

information about carrier dynamics on the sub-picosecond to nanosecond time scale. This is

particularly important for photon-driven charge generation and separation in nanostructures for

photovoltaic applications.

In this work, TRTS was implemented to study the carrier dynamics in arrays of silicon nanowires

(SiNW). Our objective is to understand how the carrier dynamics depend on the size of the

nanowires as well as the surface termination. This is important in radial p-n junction SiNW solar cells,

which have shown promise as an architecture for efficient photovoltaic devices. These structures

should help to reduce the distance over which minority carriers must drift or diffuse to reach the

depletion region. This is accomplished by producing the p-n junction on the outer surface of the wires.

This geometry allows photogenerated carriers to always be located within a few nanometers of the p-

n junction.

In our studies, the Si wires were grown by a vapor-liquid-solid (VLS) technique, assisted by a gold

catalyst, in combination with low-pressure chemical vapor deposition (LPCVD) processing. Chemical

etching and thermal oxidation were used to remove the residual gold from the wire surface, reduce

surface defects and to decrease the diameter of the wires. We measured the relative concentration of

carriers as a function of time and incident photon flux density for a different Si nanowire arrays. The

results are interpreted in terms of defect scattering and possible Auger processes.

103

Environment: Poster Morning 56

Cross check of air fluorescence detectors at the Pierre Auger Cosmic Ray Observatory with CLF (Central Laser Facility) laser test pulses fired at nearby active galactic nuclei

Presenter: Michael Bratton

Degree Program: Undergraduate Department: Physics Advisor: Lawrence Wiencke In a paper published in 2007 by the Pierre Auger Collaboration, the collaboration rejected the

hypothesis of an isotropic distribution of cosmic rays above the Greisen-Zatsepin-Kuzmin limit with a

99% confidence level. In data collected through 31 August 2007, consisting of 27 cosmic ray arrival

directions, they showed a 69% correlating fraction between the arrival directions of these cosmic rays

and the positions of active galactic nuclei closer than 75 Mpc. In a follow-up paper published in 2010,

using data collected through 31 December 2009, consisting of 42 additional arrival directions, the

correlating fraction dropped to 38%. This is closer to the 21% expected for isotropic cosmic rays.

This drop may have been caused by a failure in one or more air fluorescence detectors at the Pierre

Auger Cosmic Ray Observatory near Malargue, Argentina. The air fluorescence detectors detect

ultraviolet light emitted when N2 molecules fluoresce as a cascading particle air shower, induced by

an incident cosmic ray’s primary collision with the earth’s upper atmosphere, propagates down to the

earth’s surface. The Central Laser Facility of the observatory is centred in the middle of the

observatory and houses a steerable laser, which fires ultraviolet light simulating the fluorescence of

N2 molecules as they are impacted by a cascading particle air shower. We fire the laser in a set of

directions that spans the observatory’s field of view of the southern night sky and that coincides with

directions of selected, nearby active galactic nuclei, including the radio galaxy Centaurus A, which

shows the largest excess of cosmic ray arrival directions compared with isotropic expectations, and

the galactic centre of our own galaxy. We compare our actual firing directions with the directions that

the fluorescence detectors reconstruct as our firing directions to check that the fluorescence detectors

are able to reconstruct true cosmic ray arrival directions correctly from all areas of the observatory’s

field of view.

104

Energy: Poster Morning 57

Macroscopic Quantum Tunneling of Solitons in Bose-Einstein Condensates

Presenter: Joseph Glick

Degree Program: Master's Department: Physics Advisor: Lincoln Carr We study the macroscopic quantum tunneling of ultracold bosons in one-dimensional optical lattices.

A bright matter-wave soliton behind a potential barrier is allowed to tunnel out of confinement by

tuning the barrier width and the attractive particle-particle interactions. We predict the escape time for

the soliton, that is, when the norm remaining behind the barrier drops to 1/e, modeling how the

interaction strength, the system size, and the barrier dimensions affect the escape time. We preform

quasi-exact simulations of the quantum many-body entangled dynamics with Time-Evolving Block

Decimation (TEBD), a matrix product state numerical method. Independently, we check our results

near the weakly interacting limit with mean-field theory. Our findings show the regimes in which

mean-field theory is widely inadequate, and the appreciable differences between a mean-field and a

full quantum many-body approach. We then use TEBD to model the dynamics far beyond the mean-

field limit. We calculate the entropy of entanglement between the soliton body behind the barrier and

the escaped soliton tail past the barrier over time. We use density-density correlation functions to

examine how particles in different regions of the system (behind, under, or past the barrier) are

entangled to one another.

105

Energy: Poster Morning 58

Neutron Detection and Cross-Talk Analysis using the GEANT4 Simulation Package

Presenter: David Walter

Degree Program: Master's Department: Physics Advisor: Fred Sarazin The purpose of this project is to efficiently differentiate between the presence of a single neutron and

two neutrons. This analysis will prove very useful in detecting two-neutron emission from halo nuclei

and also in the search for exotic neutron clusters. Some light, drip line nuclei contain valence

neutrons that form a ‘halo’ around the existing nucleus causing it to seem bigger than it actually is.

These halo nuclei can be detected when the valence neutrons are separated from the nucleus with a

high-energy beam, greater than 10 MeV. The presence of multiple neutrons can be found by actively

rejecting the events in which a single neutron triggers more than one detector; this event is called a

“cross-talk.” An accurate method of cross- talk rejection is necessary in order to distinguish between

actual two-neutron halos and the multiple scattering of a single neutron halo. Experiments in which a

beam of neutrons interacts with multiple detectors are conducted through the computer simulation

program Geant4. The Geant4 program is used to simulate the physical reactions between particles

and matter in many areas of physics including high-energy physics, astrophysics, and medical

physics. This analysis is necessary in order to find the most efficient method of detecting a two-

neutron occurrence, not only to back up experimental results but to improve on experimental methods

that are already being used in this area of nuclear physics.

106

Afternoon Poster Presentations

107

Energy: Poster Afternoon 59

Biofuels: Implications for the Biocorrosion of Metallic Surfaces

Presenter: Vivek Bharadwaj

Degree Program: Doctorate Department: Chemical Engineering Advisor: Dr. A M Dean & Dr. Mark Maupin Compensated Fuel Ballast tanks are used in submarines and other sea fairing vessels. These

systems are configured as a series of fuel tanks that automatically draw in seawater to replace fuel as

it is consumed. Keeping the fuel tanks full in this manner enhances the stability of a vessel by using

the weight of the seawater to compensate for the mass of ballast lost through fuel consumption. First

generation Biofuels have been known to accelerate bio-corrosion in naval vessels using

Compensated Fuel Ballast Tanks. This study aims to understand the connections between the

chemical composition of the fuel and its propensity to undergo biodegradation and thereby accelerate

bio-corrosion using computational techniques. The use of Quantum Mechanics, Molecular Dynamics

and Reactive Molecular Dynamics techniques is envisaged to understand and describe substrate

binding and catalysis in a fully solvated enzyme environment.

108

Earth: Poster Afternoon 60

Temperature, pressure, and concentration effects of xenon on lipid membranes

Presenter: Ryan Booker

Degree Program: Master's Department: Chemical Engineering Advisor: Amadeu Sum Structural and dynamic changes in cell membrane properties induced by volatile anesthetic

molecules, such as xenon, may affect the function of membrane-associated proteins, providing a

hypothesis for the mechanism of general anesthetic action. In this study, molecular dynamics

simulations were performed on multiple systems consisting of dioleoylphosphatidylcholine (DOPC)

bilayers exposed to xenon gas at 310 K and pressures ranging from 1 bar to 200 bar. Simulations

were done for fully hydrated systems containing either a single lipid bilayer or two bilayers separated

by an aqueous phase. The permeation of xenon atoms into the lipid bilayer and the effects on bilayer

properties are characterized. The xenon atoms were found to preferentially localize in the

hydrophobic core of the bilayer and small increases in the area per lipid, bilayer thickness, and

ordering of the lipid acyl chains in the presence of xenon were observed. Increased pressures

produced no significant change in bilayer properties in the absence of xenon but decreased bilayer

surface areas were observed at higher pressures with xenon present. The free energy of xenon

permeation into the bilayer, the diffusion coefficient for xenon in the bilayer, and xenon flux and

partitioning between the aqueous phase and bilayer are also reported. Differential scanning

calorimetry measurements are used to assess the impact of xenon on lipid transition temperatures.

109

Energy: Poster Afternoon 61

The Reaction of Butenyl Radicals with Molecular Oxygen

Presenter: Eric Kosovich

Degree Program: Undergraduate Department: Chemical Engineering Advisor: Dr. Anthony Dean Biofuels such as biodiesel often contain molecules with double-bonds, which can have a significant

effect on combustion behavior. However, there is very little literature on the combustion kinetics of

these unsaturated species. The presence of the double bond has the potential to impact reaction

kinetics in several ways. For example, the weak allylic C–H bond could provide a low barrier pathway

for RO¬2 isomerization. The double-bond also potentially allows for internal addition to the molecule.

The reaction of butenyl + O2 was studied to investigate the properties of unsaturated molecules.

Using the CBS-QB3 method, the thermochemistry was calculated. The thermodynamic results were

then combined with transition state theory to calculate high-pressure rate constants. Rate constants

were also calculated as functions of temperature and pressure for the various pathways of these

chemically-activated systems. It was found that the shallow allyl-O2 well favors redissociation back to

the original reactants, from both thermodynamic and kinetic standpoints. This results in a slowing

down of ignition for biodiesel containing double-bonds.

110

Energy: Poster Afternoon 62

Understanding Jamming of Gas Hydrates Through Measurements and Modeling of 3D Particles

Presenter: Patrick Lafond

Degree Program: Doctorate Department: Chemical Engineering Advisor: Amadeu K. Sum In considering the role of gas hydrates in the flow assurance of oil and gas pipelines, the formation

and accumulation of gas hydrates can lead to the undesired blockage of flow lines by the jamming of

solid particles. With industry steadily shifting to manage gas hydrates, as opposed to completely

preventing their formation, it is of great importance to understand the limits to which gas hydrates can

exist and how their accumulation may lead to a jammed state causing blockage. To begin our

understanding of particle jamming, we have developed a framework to study the jamming of model

3D particles flowing through restrictions. Particle jamming occurs when particles competitively

discharge through an orifice. If the particle diameter is on the same length scale as the orifice

diameter, the particles can mutually stabilize one another into a dome-like structure over the orifice.

Jamming has been traditionally considered a stochastic event, and was recently shown to be well

modeled by a geometric distribution. This work considers fluid driven jamming to occur in three

distinct phases: condensation, transition, and competitive flow. Here we model the transition event

using a population balance, and have developed a one-parameter model to describe the competitive

flow. The competitive flow model was derived from statistical mechanics to accurately predict

monodisperse flow. The monodisperse model was readily extended to bidisperse and tridisperse

systems using statistical arguments with no new fitted parameters. This work forms the basis for a

predictive jamming model of gas hydrates in flow lines.

111

Energy: Poster Afternoon 63

Morphology Study of Perfluorosulfonic Acid Ionomer for PEM Fuel Cell Using Small Angle X-ray Scatterng

Presenter: Yuan Liu

Degree Program: Doctorate Department: Chemical Engineering Advisor: Andrew M. Herring Small angle X-ray scattering (SAXS) is a very useful characterization technique to investigate the

morphology of proton exchange membranes at different conditions. SAXS images were taken from

Advanced Photon Source (APS). PEMs with different side chains, equivalent weight, and annealing

conditions, etc. have been studied. SAXS data were analyzed using Irena macros package for Igor

Pro with unified fit model. Two structural levels [2] i.e. hydrophilic ionomer clusters and hydrophobic

crystalline backbone are assumed. Parameters such as radius of gyration for both levels at different

hydration states and annealing conditions have been obtained.

112

Environment: Poster Afternoon 64

Computational evaluation of Novel and Selective Antagonists of Neuronal Nicotinic Acetylcholine Receptors

Presenter: Conrad Rohleder

Degree Program: Undergraduate Department: Chemical Engineering Advisor: C. Mark Maupin alpha-conotoxin, a neurotoxic peptide from the venom of the marine cone snail, is a competitive

nicotinic acetylcholine receptor antagonist at nerves and muscles cells. The alpha-conotoxin is a

relatively small poly-peptide consisting of 16 amino acid residues and two disulfide bonds. It is

believed that the disulfide bonding network and specific amino acids residing in the inter-cysteine

loops determines the specificity of the conotoxin. In the wild-type alpha-conotoxin (PDB accession #

1MII) a Histidine at position 9 and 12 reside in the inter-cysteine loop region. It is hypothesized that

the protonation state of His9 and His12 play a direct role in the binding of alpha-conotoxin to the

nicotinic acetylcholine receptor. In addition to the wild type alpha-conotoxin we are investigating

several mutants including the E11A mutant and the triple mutant N5R-E11A-H12K to determine the

role of the amino acid environment on the resulting pKa and the impact of the protonation state on

toxicity.To evaluate the environmental impact on the protonation state (i.e., pKa) of the histidine

residues various computational proceduresare utilized including thermodynamic integration and

constant pH simulations in addition to several web based tools (such as PROPKA and H++).

113

Energy: Poster Afternoon 65

Phosphonic acid/zirconium phosphonate based proton exchange membrane

Presenter: Gregory Schlichting

Degree Program: Doctorate Department: Chemical Engineering Advisor: Andrew Herring There is a need to operate a fuel cells at high temperature >120oC and low relative humidity (RH)

<25%; including improved CO tolerance and easier heat rejection that can utilize existing radiator

technology. The goal of improving conductivity at high temperature and low RH requires modification

of polymer systems, making composites and possibly even finding new polymer systems. Different

methodologies and materials are being explored have been reviewed previously.1-3

The field of PEM improvement is extensive; much research focus has been on sulfonated and

fluorinated polymers such as the PFSA type polymers. Phosphonic acid based polymers have seen

much less focus. Recently, relatively simple polymers such as polyvinylphosphonic acid have been

characterized for microstructure and electrochemical properties.4-6 Phosphonic acids can be easily

modified. For example, addition of zirconium(IV) to phosphonic acid can be used to make a

zirconium phosphonate solid acid (ZrP).7 One fallback to this system is that polyvinylphosphonic acid

is water soluble. However, by copolymerization, this negative effect can be minimized.

ZrP can be made into small particles that can be made into a composite with polymers. Another

logical step to more tightly incorporate the particles into the membrane is to actually incorporate them

into the polymer by attaching them as a side-chain group or right into the backbone. This has

previously been accomplished by attaching a vinyl group to the ZrP.8, 9 Copolymerization with

epoxy8 and styrene9 have been accomplished among other copolymers.10, 11 The focus of this

work is to make a membrane from a copolymer of VPA and VZP. Basicaly, this is just a stabilization

of VPA with zirconium acting as a crosslinker that improves mechanical and chemical resistance and

increases proton conductivity. The increase in proton conductivity is especially apparent when

humidity increases possibly due to proton transfer from the vehicle mechanism, since an increase of

water in the system allows for an increase in this transport mechanism.12, 13

Vinylphosphonic acid and zirconyl choride were purchased from Sigma Aldrich. Zirconium

phosphonate (ZrP) was synthesized first, using techniques previously reported by Alberti, then the

114

ZrP was mixed with vinyl phosphonic acid and polymerized under UV with HMPP being the photo-

initiator.

These membranes have been characterized using a variety of techniques. FTIR was performed using

a Thermo-Nicolet 2100 in attenuated response mode. FTIR was used to examine the chemical

groups present in the copolymer. Conductivity was measured by electrochemical impedance

spectroscopy (EIS) in an environmental chamber controlling temperature and relative humidity. ZrP

monomer and the copolymer microstructure were probed by XRD and SAXS. Dynamic SAXS was

performed at the Argonne Advanced Photon Source (APS) in Argonne, IL. Dynamic SAXS was

performed on membranes at 80oC varying RH conditions. PFGSE NMR was performed to measure

the proton diffusion coefficient through the membrane.

Synthesis of VZP co-VPA has produced a clear, flexible membrane. This membrane eventually

becomes more brittle over time. XRD suggests a crystalline monomer that fully disperses, allowing

for co-polymerization to form an amorphous membrane. SAXS confirms an amorphous co-polymer

and shows an increase in order of size ranges below q~0.3A under humidification. When the as

made membrane is humidified, a stronger peak at q~0.6A decreases in order. Upon drying this

membrane, a second peak starts to appear at a lower q value.

High conductivity has been measured using EIS. At 80oC, 95%RH a conductivity of about 140

mS/cm was measured. At 110oC, 25%RH a conductivity of about 30 mS/cm was measured. This

high conductivity shows great promise for further development of this system to reach conductivity

goals at low humidity and high temperature.

Acknowledgements. We thank the National Science Foundation for the financial support through the

REMRSEC Center under Grant DMR-0820518. Use of the Advanced Photon Source, an Office of

Science User Facility operated for the U.S. Department of Energy (DOE) Office of Science by

Argonne National Laboratory, was supported by the U.S. DOE under Contract No. DE-AC02-

06CH11357. Finally, thank you to Soenke Seifert for his indispensible help using APS beamline 12.

References

1. Alberti, G.; Casciola, M., Annual Review of Materials Research 2003, 33, 129-154.

2. Devanathan, R., Energy & Environmental Science 2008, 1 (1), 101-119.

3. Herring, A. M., Polymer Reviews 2006, 46 (3), 245-296.

4. Kaltbeitzel, A.; Schauff, S.; Steininger, H.; Bingol, B.; Brunklaus, G.; Meyer, W. H.; Spiess, H.

W., Solid State Ionics 2007, 178 (7-10), 469-474.

5. Lee, Y. J.; Bingol, B.; Murakhtina, T.; Sebastiani, D.; Meyer, W. H.; Wegner, G.; Spiess, H. W.,

Journal of Physical Chemistry B 2007, 111 (33), 9711-9721.

115

6. Bingol, B.; Meyer, W. H.; Wagner, M.; Wegner, G., Macromolecular Rapid Communications

2006, 27 (20), 1719-1724.

7. Alberti, G.; Costantino, U.; Casciola, M.; Vivani, R.; Peraio, A., Solid State Ionics 1991, 46 (1-

2), 61-68.

8. Tsai, T. Y.; Wu, Y. J.; Hsu, F. J. In Synthesis and properties of epoxy/layered zirconium

phosphonate (Zr-P) nanocomposites, Pergamon-Elsevier Science Ltd: 2008; pp 1379-1382.

9. Wu, Q.; Weiss, R. A., Journal of Polymer Science Part B-Polymer Physics 2004, 42 (19),

3628-3641.

10. Burkett, S. L.; Ko, N.; Stern, N. D.; Caissie, J. A.; Sengupta, D., Chemistry of Materials 2006,

18 (21), 5137-5143.

11. Sogaard, S. R.; Huan, Q.; Lund, P.; Donnadio, A.; Casciola, M.; Skou, E. M., Solid State Ionics

2007, 178 (7-10), 493-500.

12. Kreuer, K. D.; Weppner, W.; Rabenau, A., Solid State Ionics 1981, 3-4, 353-358.

13. Kreuer, K. D.; Rabenau, A.; Weppner, W., Angewandte Chemie-International Edition in English

1982, 21 (3), 208-209.

116

Energy: Poster Afternoon 66

Novel Gas Phase Surface Passivation of Si NC

Presenter: Stephen Weeks

Degree Program: Doctorate Department: Chemical Engineering Advisor: Sumit Agarwal Si nanocrystals (NCs) (size <7 nm) are generating an increased interest as a material to be used in

third generation photovoltaics (PVs) owing to their size-dependent band gap, visible

photoluminescence and multiple exciton generation (MEG). Synthesis of both liquid and gas phase

NCs have been reported in the literature. We synthesize Si NCs using a capacitively - coupled

SiH4/Ar plasma generated using RF power. The Si NCs are characterized using transmission

electron microscopy, energy-dispersive X-ray spectroscopy, in situ attenuated total reflection Fourier

transform infrared spectroscopy (ATR-FTIR), photoluminescence spectroscopy, Raman spectroscopy

and X-ray diffraction. The size of the NCs can be controlled by varying the residence time in the

plasma volume. The residence time is adjusted to attain a particle size of 5 nm collected on a grid.

The crystallinity of the NCs depends on the amount of RF power put in the plasma. We have

successfully shown the variation of amorphous to crystalline nature of the NCs collected, using in situ

ATR-FTIR spectroscopy and X-ray diffraction, based on the input RF power.

Our infrared measurements show that the NCs are H-terminated with mono-, di- and tri-hydride

species. Surface passivation poses a major challenge in using the Si NCs in third generation PVs. If

well-passivated Si NCs with the same size are sufficiently close to each other then the overlap of

electronic wavefunctions can result in quantum tunneling leading to carrier transport. Surface

passivation has been investigated through novel gas phase techniques using acetylene, styrene and

phenylacetylene as surface passivants and characterized with ATR-FTIR and PL spectroscopy.

117

Energy: Poster Afternoon 67

Amphiphilic block copolymers containing quaternary ammonium cation synthesized by living polymerization

Presenter: Yifan Li

Degree Program: Doctorate Department: Chemistry & Geochemistry Advisor: Daniel M. Knauss Well-defined amphiphilic block copolymers have the potential as materials for application as alkaline

anion exchange membranes (AAEM). In this study, synthetic pathways are investigated for the

production of polybutadiene-b-poly(vinylbenzyltrimethylammonium chloride) (PB-b-P[VBTMA][Cl]).

This amphiphilic diblock copolymer synthesis involved formation of TEMPO functionalized

polybutadiene by using 2,2,6,6-tetramethyl-1-(2-bromo-1-phenylethoxy) piperidine to terminate the

living anionic polymerization of butadiene in cyclohexane at room temperature. The nitroxide-

functionalized polybutadiene was subsequently used as a macroinitiator to polymerize vinylbenzyl

chloride (VBC) by nitroxide mediated polymerization at 125°C in the bulk. The resulting

polybutadiene-b-poly(vinylbenzyl chloride) (PB-b-PVBC) was then functionalized with trimethylamine

in chloroform to form polybutadiene-b-poly(vinylbenzyltrimethylammonium chloride) (PB-b-

P[VBTMA][Cl]). Gel permeation chromatography (GPC) clearly depicts the increase in molecular

weight of PB-b-PVBC diblock copolymer, and the PB-b-PVBC was also characterized by 1H NMR

spectroscopy. Infrared spectroscopy confirmed the formation of quaternary ammonium cation. Finally,

PB-b-P[VBTMA][Cl] was solvent cast in a chloroform/methanol co-solvent mixture, this solvent

processability extends utility of PB-b-P[VBTMA][Cl] in AAEM applications.

118

Energy: Poster Afternoon 68

An Applied Method for Production of Biodiesel from Algae

Presenter: Dongxu Li

Degree Program: Undergraduate Department: Chemistry & Geochemistry Advisor: Matthew Posewitz Establishing a robust and quantitative method to extract and analyze total fatty acids is critical for

advancing microalgae derived biofuels. Extracting lipids from wet algal biomass provides many

advantages over traditional techniques. Algal cultures can be assayed directly, avoiding steps such

as centrifugation, filtering, or drying that can be problematic for fragile or high oil content algal strains

in addition to increasing analysis time and complexity. Here we demonstrate a wet lipid extraction

method based on saponification-transesterification that provides a reproducible and high throughput

algal lipid extraction method for laboratory scale samples. The saponification-transesterification

method is comprised of three steps: (1) the extraction of fatty acids from biomass by using base

catalyzed saponification; (2) the direct transesterification of fatty acid salts to produce fatty acid

methyl esters (FAMEs); and (3) final extraction of FAMEs by using organic solvents. Lipid standards

of several different classes and algal samples were used to compare the efficiency of the

saponification-transesterification method to two other lipid extraction methods. Strains of the

unicellular green alga Chlamydomonas reinhardtii were assayed because it is wildly used as a model

organism and several mutant strains with altered lipid content are available. C. reinhardtii has

become a mainstay in molecular and genetic phycological research due to the sequencing of this

alga’s genome and the development of a variety of genetic tools, so developing analytical methods to

accurately characterize this alga’s biomass is essential. Statistical analysis of data showed that: (1)

extraction of total fatty acids and direct transesterification of fatty acid salts were significantly

increased when water contents in saponification reagent and methylation reagent decreased; (2)

even though the efficiency of direct transesterification of biomass increased with reaction time, there

was an optimal reaction time length in order to obtain both reaction efficiency and energy balance; (3)

efficiency of direct transesterification was not drastically affected by either sample size or lipid polarity.

This method was successfully used to convert fatty acids of C. reinhardtii and several high lipid

producing mutants into FAMEs, and may be useful for producing biodiesel from wet algal cultures for

the production of biofuels.

119

Environment: Poster Afternoon 69

Analysis of Engineered Nanoparticles by Single Particle Inductively Coupled Plasma Mass Spectrometry

Presenter: Robert Reed

Degree Program: Doctorate Department: Chemistry & Geochemistry Advisor: James Ranville Single Particle Inductively Coupled Plasma Mass Spectrometry is being developed as a tool for

detecting individual nanoparticles in complex matrices. This has been shown to be effective at

quantifying ca. 50-100 nm CeO2 and TiO2 NPs in the part-per-trillion range in cell culture media and

moderately hard water. This may be an important technique for detection of these particles at

environmentally relevant concentrations. Detection of ZnO nanoparticles has been poor, likely due to

particle dissolution. Rapid ZnO dissolution was observed in culture media DMEM, while solid

precipitation limited Zn solubility in moderately hard water.

120

Energy: Poster Afternoon 70

Synthesis and Characterization of Polystyrene Bearing Guanidinium as Pendent Groups

Presenter: Yating Yang

Degree Program: Master's Department: Chemistry & Geochemistry Advisor: Dan Knauss The guanidinium group has been investigated as a potentially base-stable cation for polymer

functionalization and use as alkaline anion exchange membranes. Benzylpentamethylguanidinium

chloride and vinylbenzylpentamethylguanidinium chloride were each produced through a two-step

synthesis procedure. Vinylbenzylpentamethylguanidinium chloride was polymerized in water under

conventional free radical polymerization conditions to form high molecular weight polymer. The

polymer is soluble in water, acetonitrile, DMF, DMSO. Thermogravimetric analysis of the polymer

determined that the functionalized polymer is thermally stable in chloride form up to approximately

200 °C. The alkaline stability of the benzylpentamethylguanidinium cation was determined at 20, 60,

and 80 °C (indicate concentration/conditions). Characterization of the reaction products by 1HNMR

spectroscopy and GC-MS analysis indicate that the benzylpentamethylguanidinium has minimal

stabily in the presence of hydroxide, degrading to form benzytrimethyl urea and dimethylamine.

121

Energy: Poster Afternoon 71

Miniaturization and Control of a Mechanically Variable Stiffness Joint

Presenter: Daniel Cano

Degree Program: Master's Department: Engineering (Civil, EE, ME, Systems) Advisor: Anthony Petrella A mechanically variable stiffness mechanism was developed to improve compliance of various

linkages particularly in the field of robotics and prosthetics. The prototype validated the proposed

hypotheses and proved that this mechanism has the potential to vastly improve the compliance of

prosthetics and robotic linkages. Since the focus of this previous project was to validate the theory

and not implement it, this next project will be a continuation of this mechanism. The problem can be

separated into three subsets. These are miniaturization, validation, and control. Miniaturization will

involve scaling down the original prototype to a suitable size that can be placed on either an upper or

lower limb prosthetic. Validation will involve testing this new scaled down mechanism to verify that the

original hypotheses hold. Lastly, control will involve developing control systems and installing

actuators to vary the stiffness and motion of the joint.

122

Energy: Poster Afternoon 72

Investigation of Wind Turbine Gearbox Failures Using Condition Monitoring Data and Reliability Models

Presenter: Brendan Geels

Degree Program: Master's Department: Engineering (Civil, EE, ME, Systems) Advisor: John Steele Reliable, cost competitive wind turbines (WT) will play a significant role in the emerging market for

renewable energy. Gearbox failure is not the most common failure; however, it is one of the most

costly for a wind turbine (WT) both in terms of lost production and repair expense. Advances in

gearbox maintenance and reliability are needed in order to ensure that the WT drive train meets the

expected 20 year design lifespan. Improvements in WT gearbox reliability have been made in recent

years with the introduction of condition monitoring systems. However, the complexity of the gearbox

combined with the lack of available sensor data related to failure events has made accurate fault

detection, and prediction, difficult. NREL’s Gearbox Reliability Collaborative has recently built a

database of detailed sensor data for failure events from various wind turbine sites.

This project will focus on developing a FMECA-based (Failure Mode, Effects, and Criticality Analysis)

model, analyzing NREL’s failure data, and looking for correlations between sensor readings and

known failure modes. The correlations will then be used to create a more accurate fault detection

model for application in WT gearbox condition monitoring systems. The model can then be tested in

the field at the National Wind Technology Center. The long-term goal is to develop WT failure models

that can be used both to identify and to predict wind turbine failures.

123

Energy: Poster Afternoon 73

Regulation Control for Grid Integration of Wind Turbines

Presenter: Yunho Jeong

Degree Program: Master's Department: Engineering (Civil, EE, ME, Systems) Advisor: Dr. Kathryn Johnson The penetration of wind energy is increasing rapidly in the U.S. and globally as energy security and

carbon emissions become of greater concern. Many states in the U.S. are implementing renewable

portfolio standards, targeting in the vicinity of 20% by 2030. These increases create both

opportunities and challenges for companies in the wind power industry and the utility grid. One of the

emerging challenges is the use of wind turbine control to provide active grid frequency support.

While the scope of the study is limited to the individual turbines and their capability to respond to the

request from grid / turbine operators, this study will explore different control strategies to address the

frequency deviation problem caused by high penetration of wind turbines, and assign most suitable

controller for different situations. The metrics of performance will be energy capture, responsiveness,

load and possibly more, and the possible input to the controller other than the typical inputs to

existing turbines maybe grid operator’s request to increase or decrease power output and the

duration of the change. We will be investigating inertial control, primary control, and secondary control

in simulation and preparing for field tests at the National Renewable Energy Laboratory’s National

Wind Technology Center.

124

Earth: Poster Afternoon 74

Membrane Penetration in the Triaxial Test on Granular Soils

Presenter: Stephanie LaCrue

Degree Program: Master's Department: Engineering (Civil, EE, ME, Systems) Advisor: Dr. Marte Gutierrez Stress-strain-strength parameters for soils are determined by using the triaxial test. The triaxial test is

a laboratory testing method that subjects a cylindrical soil sample inside a rubber membrane to radial

and controlled axial stresses. Membrane penetration occurs in the triaxial test when the rubber

membrane surrounding coarse-grained soil adheres to the soil grains and provides an incorrect

volume reading that requires correction because the cylindrical surfaces are truly not smooth.

However, suggested corrections to the measurement do not truly correct the volume. A correct

volume measurement is necessary to develop the true stress-strain relationship for granular soils that

will enable property calculations; therefore finding a solution to prevent membrane penetration is ideal.

A proposed method to reduce the membrane penetration error in the triaxial test is to run the test with

two cells filled water, instead of the typical one cell. Having a smaller cell around the soil sample

inside of the larger typical cell allows more accurate measurements of the membrane penetration

effect. The effects from membrane penetration can be measured more precisely because the

membrane penetration measurement is small in comparison to the outer cell volume, therefore in

comparison to the inner cell’s smaller volume the effect measurements will be more apparent. With

these more precise measurements, the effects on granular soils can be scaled, which may require

development of new correction equations, or new test procedures to avoid the influence of membrane

penetration.

125

Energy: Poster Afternoon 75

Design and Construction of a Diagnostic Suite for Fundamental Studies of Pulsed Plasma Enhanced Chemical Vapor Deposition

Presenter: Chris Lange

Degree Program: Master's Department: Engineering (Civil, EE, ME, Systems) Advisor: Colin Wolden Low frequency (~1 Hz) pulsed plasma enhanced chemical vapor deposition (PECVD) is an alternative

approach for self-limiting growth of high quality thin films at high rates with good conformality. The

underlying mechanism is not fully understood, particularly at plasma ignition. Critical questions

include the role of metal precursors in the gas phase as well as those that adsorb to chamber

surfaces when the plasma is off. To gain a more fundamental understanding of this process, a

diagnostic suite has been designed and constructed to provide steady state and temporal

measurement of fundamental plasma parameters. A custom diagnostic PECVD reactor was built to

accommodate these diagnostics and to achieve noise-free measurements. A matching network was

designed and built to ensure plasma matching and stability. Pulsed plasma characteristics were

measured with an array of sensors including a photodiode, current and voltage probes, Langmuir

probe, and trace rare gas optical emission spectroscopy. This poster will document the design and

fabrication of the diagnostics suite and provide steady-state and transient measurements acquired in

registry with the plasma pulse waveform. The aforementioned sensors and techniques

provide a sensing platform to uncover the underlying physics and chemistry

involved in pulsed PECVD. They also provide measurements that will be used to

validate detailed computational models developed by our collaborators.

126

Energy: Poster Afternoon 76

Automatic Modulation Recognition for Spectrum Sensing using Nonuniform Compressive Samples

Presenter: Chia Wei Lim

Degree Program: Doctorate Department: Engineering (Civil, EE, ME, Systems) Advisor: Michael B. Wakin The theory of Compressive Sensing (CS) has in recent years enabled the efficient acquisition of high-

bandwidth (but sparse) signals via nonuniform low-rate sampling protocols. While CS has shown that

signal information can be preserved in compressive (sub-Nyquist) samples, most work in CS has

focused on reconstructing the high-bandwidth signals from these samples. In this work, however, we

consider the task of inferring the modulation of a communications signal directly in the compressed

domain, without requiring signal reconstruction. In particular, we show that Automatic Modulation

Recognition (AMR) of M-ary Phase-Shift-Keying (MPSK) communication signals is possible by

applying the well known Nth Law nonlinear transformation on nonuniform compressive samples, and

we provide guarantees for the accurate generation of AMR features from nonuniform samples.

127

Energy: Poster Afternoon 77

Electronic structure of oxygen mono- and di-vacancies on the rutile (110) surface

Presenter: Willie Maddox

Degree Program: Doctorate Department: Engineering (Civil, EE, ME, Systems) Advisor: C. V. Ciobanu With a broad range of applications, titanium dioxide is considered to be one of the most promising

oxides. Specifically, surface oxygen vacancies have been shown to play a crucial role in the

photocatalytic properties of rutile. We report the results of electronic structure calculations for

reduced rutile (110) surfaces. We perform density functional theory calculations in the framework of

Hubbard-corrected generalized gradient approximation (GGA+U) to investigate the electronic

signatures of mono- and di-vacanies on rutile (110) surfaces. We study the localization of gap states

by calculating partial occupancies associated with each gap state. We study charge transfer effects

using Bader analysis and find that the atoms associated with gap states also experience the largest

degree of charge transfer. The dependence of the band gap on the U parameter was also

investigated. We compare our results with previous theoretical and experimental observations found

in the literature.

128

Earth: Poster Afternoon 78

From runways to spillways. The use of non-destructive inspection techniques in dam safety management: lessons from the aircraft industry.

Presenter: Benjamin Lowry (Geology) and Minal Parekh

Degree Program: Doctorate Department: Engineering (Civil, EE, ME, Systems) Advisor: Mike Mooney and Wendy Zhou Use of non-destructive evaluation (NDE) of dams is a developing art and science, with yet undefined

explicit guidance for use and application in dam safety regulation. This paper compares and

contrasts the use of NDE for dams to the use within the aircraft/aerospace industry, where NDE and

its role is now mature and well justified. In the span of 20 years, with federal agencies as champions,

innovations in aircraft component NDE have reduced cost and optimized safety for critical structures

within this industry. For aircraft components, structural flaws and defects may develop in materials

during manufacturing and/or as a result of use or age. For dams, inconsistencies and variability are

introduced during construction as a result of material and construction practice and aging processes

in dams. A challenge shared by dam and aircraft interests is keeping structures or systems

operating as long as possible in the face of limited funds for inspection, repair, or replacement, while

maintaining a high level of safety. The analogy is not perfect, but by exploring similarities and

differences, dam owners and operators can leverage lessons learned from NDE within another

industry to optimize its application to dams.

The dam safety world is changing and inspection tools are changing as well. As the nation’s dam

inventory ages and as downstream development increases, many dams are being reclassified to

higher hazard structures. This change has precipitated an adjustment to dam safety inspection

philosophy, where prescriptive standards-based guidelines are being replaced by risk-informed

inspection and monitoring. The risk-informed methodology of inspection is facilitated by advanced

technologies of geophysical surveying, NDE techniques used to investigate the subsurface without

interfering with the operation of the structure. As the reliability of geophysical surveying improves, the

ability to detect early stages of problematic conditions is advancing. This resembles the early use of

NDE in the aircraft industry.

129

The use of NDE methods in the aircraft industry has evolved considerably. The industry originally

took a “safe life” approach to evaluate integrity of aircraft components. Safe life terminology indicates

that the life of the structure was estimated based on fatigue behavior such that the aircraft component

was expected to operate without failure for a certain operating life, regardless of inspection. Aircraft

components were retired after their safe life expired, regardless of the absence of damage. The

prescribed operational service life resulted in conservative removal of aircraft components from

operation.

Safe life design philosophy evolved into a “fail-safe” philosophy, which allowed an aircraft structure to

remain in service, inspected routinely until inspection revealed fatigue cracks deemed to cause

unacceptable strength reduction. The fail-safe approach evolved because the limited understanding

of crack growth and limited NDE capabilities yielded undetected failures resulting from fatigue

cracking. To replace the fail-safe philosophy, the aircraft industry adopted “damage-tolerant” risk

analysis, which characterizes failure from a probabilistic standpoint, taking into account variability of

material properties, stress/loads, and state of damage/crack distribution via probability density

functions.

Current dam management operates under a fail-safe philosophy, where inspection is performed on a

scheduled basis, and detection of “flaws” triggers emergency intervention and operational restrictions.

Current inspection methods identify the visual presence of well-progressed problems and NDE tools

are only used to characterize the conditions of a dam after this progression has occurred. However, if

NDE can be used proactively to identify and understand early onset of internal problems, dam safety

management can be approached using a damage tolerant philosophy. This paper chronicles the

evolution of NDE use in the aircraft industry and details the damage-tolerant risk analysis approach

used. The paper compares and contrasts aircraft safety management with dam safety management,

and identifies a roadmap for valuable use of NDE in dam safety.

130

Energy: Poster Afternoon 79

Direct Internal Fuel Reforming using Anode Gas Recycling in Tubular Solid Oxide Fuel Cells

Presenter: Shay Robinson

Degree Program: Master's Department: Engineering (Civil, EE, ME, Systems) Advisor: Neal Sullivan Biogas is a significant energy resource which is currently underutilized in it’s full potential. As a

product of anaerobic digestion, it is produced in large quantities at waste-water treatment plants.

Currently biogas is flared at rates as high as 140Mm3 per day, wasting an energy resource which

could be used for many purposes. Consisting of approximately 65% methane and 35% carbon

dioxide, biogas fuel can be effectively converted to power using solid-oxide fuel cells (SOFC’s),

however carbon deposition remains the primary reason for cell deactivation and eventual failure.

Carbon deposition necessitates the use of a fuel reformer upstream from the SOFC, and numerous

techniques have been used to accomplish this process.

This study will employ analytic, modeling and experimental methods to determine the conditions

necessary for direct internal reforming (DIR) of the fuel stream within the SOFC.

A simulated anode gas recycling system will be used to measure fuel utilization and to quantify

percentage recycled as a function of varying operating parameters. The fundamental kinetics system

model is developed in CANTERA based on gas chromatography of exhaust gas composition, the

fuel-stream will be modified to simulate the desired percentage recycled.

By implementing a detailed computational model in CANTERA (which couples momentum, heat,

mass and charge transport with electrochemical and chemical reactions), the operation of a DIR-

SOFC will be analyzed for fuel utilization and overall efficiency.

Anode gas recycling could help extend the operational range of DIR-SOFCs to lower fuel moisture

levels than typically applied, this will result in reduced thermal stresses and lower the risk of carbon

deposits, as well as minimizing system costs and complexities in terms of steam production and

upstream fuel reforming efforts.

131

Earth: Poster Afternoon 80

A Design Methodology Based Process for Robotic Gripper Design

Presenter: David Streusand

Degree Program: Master's Department: Engineering (Civil, EE, ME, Systems) Advisor: Dr. Cameron Turner The design of end-effector tooling for robotic systems is a crucial component in robotics applications.

These tools, ranging from specialty items such as grinders and welders to more universal tools such

as grippers, represent a critical component in the operations of a robotic system. Performance

limitations due to the design of a robotic gripper impose performance limitations upon the operations

of the system as a whole. By applying classical design methods to the design of a robotic gripper, a

design process that leads to a robotic gripper tool that meets the performance requirements and

specifications of a system can be developed. This research uses a design process developed from

existing design methods to create a band gripper design for Los Alamos National Laboratory to

demonstrate a robust design process that can yield satisfactory gripper designs. The developed

gripper design is subsequently tested and evaluated based on the project requirements and

specifications to validate the design. The resulting gripper met or exceeded project design

requirements and specifications.

132

Energy: Poster Afternoon 81

Modeling the organization of viruses on templated substrates

Presenter: Dan Sullivan

Degree Program: Doctorate Department: Engineering (Civil, EE, ME, Systems) Advisor: Cristian Ciobanu Within the past decade, the exploitation of naturally self-assembling biological nanoparticles has

received much interest for use in the fabrication of functional nanomaterials and nanoscale devices.

In particular, the cowpea mosaic virus (CPMV) has proved especially suitable for use as a building

block in bionanosystems. A number of groups have begun performing experimental studies on

functionalizing CPMV and arranging it in potentially useful patterns, but so far this work has been

largely based on intuitive approaches to modification of the viral capsid and techniques for

immobilizing it on chemical nanotemplates. As a result, the underlying physical mechanisms driving

viral organization have not been well studied and a fundamental understanding of the kinetic and

thermodynamic barriers governing organization remains undeveloped. We use classical molecular

dynamics simulations to model the adsorption and organization of viruses on a noninteracting

substrate containing a strongly binding template with the goal of providing insight into the key

processes and mechanisms driving organization. This work will lead toward developing a better

understanding of viral organization and how it may be a useful tool in fabricating functional nanotech

devices and materials.

133

Earth: Poster Afternoon 82

Hot dry rock propped fracture propagation modeling in particle flow code (PFC)

Presenter: Ingrid Tomac

Degree Program: Doctorate Department: Engineering (Civil, EE, ME, Systems) Advisor: Marte Gutierrez

Enhanced geothermal systems circle cold water from the surface trough deep deposits of fractured

hot dry rock with systems of wells to get hot water and steam for turbine running in electrical energy

power plant system. Deposits of HDR are up to 6km deep on temperature 200-3000 C. In order to

enhance the reservoir HDR is fractured and propped with sand or similar material proppants.

Research focuses on modeling the fracture propagation and propping it in HDR conditions, using

distinct element code (PFC). Discrete element model consists of disk (balls) elements with stiffness

and density properties bonded with contact or parallel bonds. The stresses propagate between balls

trough contacts, and both balls and contacts are assigned strength and stiffness parameters. The

model can imitate fracture propagation by breaking the bonds between the balls.

Model properties are set to represent rock mass properties. The initial model is 300x300mm 2D block

subjected to the horizontal stress of 6.5MPa and vertical stress of 4MPa. The model has a hole in the

middle that is pressurized to start fracture propagation. Later it will be extended to 3D model,

subjected to temperature boundary conditions and fractured with fluid consisting proppants. The initial

results show the fracture propagation in the direction normal to minor stress direction.

The research objectives are to better understand fracture propagation process and fracture propping,

influence of temperature on stress change on fracture plane due to cold water and hot dry rock

contact, effects of sand proppant propagation with respect of fracture roughness, water pressure

change, and sand clogging and settlement phenomena. The final goal of the research will be to

establish guidelines for better performance of HDR fracturing process.

134

Environment: Poster Afternoon 83

Dynamic Response of a Fluid-Saturated Soil

Presenter: Nathan Toohey

Degree Program: Doctorate Department: Engineering (Civil, EE, ME, Systems) Advisor: Michael Mooney The focus of this research is to characterize the response of a fluid-saturated soil when subjected to

vibration loading. This research is motivated by the Venice Lagoon restoration project where seabed

floor soil is being compacted or densified by an innovative, underwater vibratory compaction system.

This research will integrate data obtained from field investigations performed at one of the Venice

construction sites, test data obtained from a pioneering laboratory experimental system, and results

from numerical simulations to validate the appropriate constitutive model and governing equations for

this system.

This poster will present the abovementioned research effort underway, including results from early

field testing and modeling using the data acquired from the Venice field testing. This preliminary

investigation included assessment of the nature of plate vibration and the soil response during

vibration. Plate vibration was monitored via single and multi-axial accelerometers. In addition, in-

ground transducers were used to measure pore water pressure generation during vibration. The

vibratory plate/soil system was modeled as a lumped parameter system. Model comparison to field

data suggested that the model was incapable of predicting various aspects of both plate vibration and

dynamic soil response.

135

Energy: Poster Afternoon 84

LIDAR-based Advanced Feedforward Control For Wind Turbine Load Mitigation and Power Capture

Presenter: Na Wang

Degree Program: Doctorate Department: Engineering (Civil, EE, ME, Systems) Advisor: Kathryn Johnson An adaptive feedforward controller based on a filtered-x recursive least square (FX-RLS) algorithm

and a non-adaptive feedforward controller based on a zero-phase-error tracking control (ZPETC)

technique have been designed to augment a collective pitch proportional-integral (PI) feedback

controller for wind turbine rotor speed regulation and component load reduction when the wind turbine

is operating above rated wind speed. The inputs to the adaptive feedforward controller include

measurements of the rotor speed error and the incoming wind speed, where wind speed would be

provided by a commercial light detection and ranging (LIDAR) system. Simulation results are based

on comparison with a PI feedback only controller. Simulations show that augmenting the baseline PI

feedback control with ZPETC feedforward control improves the blade loads but worsens the tower

loads. The FX-RLS feedforward algorithm gives better performance than both the baseline PI

feedback and the ZPETC feedforward in both tower (fore-aft and side-to-side) and blade (flapwise

and edgewise) bending moment mitigation. Even with realistic 1 Hz LIDAR data update rate, the FX-

RLS feedforward strategy can effectively mitigate the tower and blade bending moment while

providing better rotor speed tracking and only a small energy drop.

Additionally, an RLS algorithm based adaptive feedforward controllers and a preview controller have

been designed to augment a linear quadratic regulator (LQR) based state feedback controller for

maximizing wind turbine power capture and mitigating the component load when the wind turbine is

operating below rated wind speed. LIDAR system provides the incoming wind information for the two

advanced controllers as well. Simulation results are based on comparison with a traditional kw^2 law

control in below rated wind condition. Simulations show that both the RLS algorithm based

feedfoward control and the preview control make the power production increased by around 8% and

1% in uniform and turbulent wind condition, respectively. And in the turbulent wind condition, preview

control improves both tower (fore-aft and side-to-side) and blade (flapwise and edgewise) bending

moment mitigation by 8%, but the adaptive feedforward control only improve the tower bending

moment by 14%.

136

Environment: Poster Afternoon 85

Process Control for Low-Cost Electrochromic Film Production

Presenter: Maciej Zagrodzki

Degree Program: Master's Department: Engineering (Civil, EE, ME, Systems) Advisor: Tyrone Vincent Transparent materials, such as Glass or plastic, coated with Electrochromic material have the ability

to lighten or darken as desired. In other words, the amount of light that is transmitted through the film

can be controlled by the user. If applied to building windows, electrochromic could help to heat

buildings by allowing more natural light in, or conversely help to keep them cool by reflecting the light.

While the technology exists and has been shown to be very effective, the high costs of the complex

manufacturing techniques prevent it from becoming a practical solution. It is therefore necessary to

develop a low-cost electrochromic production method. Electrochromic material is produced by a

process called sputtering, which is a complex procedure that involves the use of a vacuum chamber

to create a specific chemical environment for the correct stoichiometry of the substance to be

deposited upon a desired material. In order to create and maintain this environment within the

chamber, a control system is necessary. The focus of this research is to design a controller which

maintains the proper chemical environment by monitoring the Optical Emission Spectroscopy (OES)

of the plasma within the chamber. The ultimate goal is to maximize the deposition rate of the

electrochromic material, which has been shown to be closely dependent on the OES of the plasma.

Currently a control strategy based on the OES signals is being developed.

137

Environment: Poster Afternoon 86

Tracking carbon cycling in biostimulated systems: effects on uranium bioreduction

Presenter: Martin Dangelmayr

Degree Program: Doctorate Department: Environmental Science Advisor: Dr Linda Figueroa Indigenous organisms capable of reducing uranium, are already present in many contaminated

aquifers. Injecting a carbon source and stimulating microbial growth can achieve bioreduction and

subsequent uranium precipitation. Substrates will be converted into soluble and solid phase

microbially produced organic matter (MPOM) that may interact with uranium transport, bioavailability,

and redox kinetics. This study will track substrate transformations in biostimulated systems, prior,

during and post-biostimulation to identify rate constants for the production of gaseous, soluble, and

solid phase carbon pools. Fluorescence spectroscopy, size filtration, extraction and fractionations

schemes will be used to characterize MPOM, while solution analyses will track terminal electron

acceptors. Results from column studies using C-14 labeled acetate will be correlated to field samples

from a biostimulation experiment at the integrated research field challenge site (IFRC) in Rifle, CO.

Excitation-Emmission spectra show an increase in protein-like MPOM in biostimulated sediments

compared to background samples.

138

Energy: Poster Afternoon 87

Mixed-Integer Nonlinear Optimization of Water Reclamation processes for Operating Cost Minimization

Presenter: Richard Huggins

Degree Program: Doctorate Department: Environmental Science Advisor: Dr. Linda Figueroa Decentralized wastewater treatment (DWT) facilities designed for water reuse commonly use

sequencing batch reactor (SBR), membrane bioreactor (MBR) or combination processes.

Combination processes provide robust treatment over variable influent conditions, categorized as

Time Managed Membrane Bioreactors (TMMBR) (Huggins, 2009). Current process optimization

efforts for these types of systems focus on two approaches; 1) a “review of alternatives”, and 2)

dynamic programming using integrated process sensors (Kim, 2008). The goal of this research is to

develop a solution method for triple bottom line optimization of operating parameters and upgrade

scheduling for a time managed DWT and reuse facility. Difficulty in implementing robust optimization

programs lies in the non-linearity of microbial process equations, design variations, and the economic

complexity of water reuse. Explicit optimization of biological processes can be done using mixed

integer non-linear models and associated algorithms. In an optimization formulation, decision

variables represent quantities to be determined, and a set of decision variable values constitutes a

candidate solution. An objective function is either maximized or minimized and expresses the

performance criterion in terms of the decision variables. The set of allowable solutions, and hence,

the objective function value, is restricted by constraints governing the system. Once the objective

function and constraints have been algebraically formulated, optimization algorithms provide efficient

mathematical techniques that determine the best solution. The following is a summary of the

optimization formulation to be presented.

Parameters defining fixed system inputs include influent conditions, membrane characteristics,

biokinetic, cost, and energy parameters. Variables include operating decisions such as SRT,

recirculation ratios, cycle time, and aeration schedule. The objective function minimizes facility

operating cost and energy consumption and maximizes sustainability. The constraints enforce

activated sludge model equations, heuristic relationships describing membrane fouling and

clarification potential, and unit process cost and energy functions.

139

Research to be presented at the WateReuse Symposium 2011 includes a multi-objective

process optimization of an idealized TMMBR reuse system considering a) design and operating costs,

b) energy consumption, and c) sustainability. Discussion will include model development, derivation

of process fluid fouling equations, application of deterministic modeling techniques to variable

processes, and model fidelity and tractability. Some parameters remain to be isolated with respect to

fluidic fouling potential; however, a basic optimization program and proof of concept utilizing literature

sources and municipal data has been completed. Ongoing research indicates that applying

optimization methods to DWT facility operation results in a 10 to 15% cost savings. Using presented

methods the entire facility is optimized simultaneously, identifying an absolute optimum, which is

inherently different from traditional methods which evaluate relative optimality. This research has

broad applications for facilitating water reuse, and increasing sustainability in treatment facilities, and

in developing reclaimed water sources that meet beneficial use standards at economically viable

costs.

Huggins, R., Drewes, J., Cath, T., Johnson, L., 2009, Sequencing batch membrane bioreactor

technology for onsite wastewater treatment and reuse: WateReuse Symposium.

Kim, Y.-H., Yoo, C-K., Lee, I-B., 2008, Optimization of biological nutrient removal in a SBR using

simulation-based iterative dynamic programming: Chemical Engineering Journal, v. 139, p. 11-19.

140

Environment: Poster Afternoon 88

Investigation into Changes in Pore Networks in Caprocks undergoing Small-Scale Carbon Sequestration Simulation Laboratory Experiments

Presenter: Katherine Mouzakis

Degree Program: Master's Department: Environmental Science Advisor: Dr. Sitchler Injection of carbon dioxide (CO2) into potential storage formations relies on caprocks to inhibit CO2

from leaking out of the intended injection formation. Leakage is not desired because the regulatory

and legal framework may not permit it, and leakage of CO2 into overlying aquifers may result in

drinking water contamination. This caprock is often a mudstone such as a shale. Changes in the

caprock mineralogy resulting from dissolution or precipitation reactions can alter the pore network

where many pores are in the micrometer to nanometer scale range. There is a need to understand

and predict changes to the pore networks at these nanometer length scales as a first step to

evaluating impacts on porosity, permeability, and geomechanical stability of the caprock. This

research uses nano-scale imaging techniques to examine changes to pore networks in caprock

mudstones before and after high-pressure, high-temperature reactions with CO2. Small angle neutron

scattering (SANS) and high-resolution field-emission scanning electron microscopy (FESEM) will be

used to analyze changes to the pore network resulting from reaction with CO2. Samples for this study

were obtained from potential carbon sequestration injection zones prior to sequestration. Preliminary

imaging and characterization of the pore network has been completed for samples from the Marine

and Lower Tuscaloosa Formation, the Upper and Lower Kirtland Formation, and the Gothic Shale.

Five grams of Gothic Shale were reacted with 270mL of brine and 30 mL of CO2 in a fixed cell

hydrothermal reactor at 160 C and 145 bars. Comparisons of images of the sample before and after

reaction provide information about the evolution of the pore network. Results from this experiment will

be presented.

141

Environment: Poster Afternoon 89

Membrane pretreatment of coalbed methane produced water: analysis of constituent rejection and downstream water composition

Presenter: Colette Van Straaten

Degree Program: Undergraduate Department: Environmental Science Advisor: Junko Munakata-Marr Coalbed methane (CBM) or coalbed natural gas (CBNG) is an unconventional gas source with large

U.S. and worldwide reserves. CBM wells are screened along coal seams, where water is produced in

large volumes to release pressure and allow methane to desorb from the coal surface. The

opportunity to utilize produced water as a resource for irrigation, stream flow enhancement or drinking

water augmentation is hindered by limited information on CBM produced water treatment. A total of

12 CBM producing wells were sampled in two basins. Three types of pretreatment membranes were

utilized for flat sheet studies to observe rejection for the variable water qualities. Constituent rejection

and overall downstream water composition were analyzed. Membrane foulant characteristics were

analyzed to determine problematic constituents for treatment. The effluent water quality was analyzed

to determine the effectiveness of pretreatment membranes to protect downstream desalination

processes.

142

Environment: Poster Afternoon 90

Water Treatment Applications for Novel Nanofiltration Membranes

Presenter: Andrew Wait

Degree Program: Master's Department: Environmental Science Advisor: Dr. Tzahi Cath Membrane separation processes are used to produce freshwater supplies from impaired water

resources. Membranes can be used to treat many types of impaired water, from seawater, which

needs reverse osmosis (RO) desalination, to sewage, which needs ultrafiltration (UF)to remove

pathogens. Nanofiltration (NF) membranes have applicability in the range between RO and UF

because they are more permeable than reverse osmosis membranes. Applications of NF include the

removal of natural organic matter from the effluent of wastewater treatment plants to prevent

disinfection byproduct formation, the separation of dyes and dissolved solids from wastewater

streams in the textiles industry, and removal of hardness from ground and surface water. Polymer

scientists are currently designing new polymeric substrates to produce NF membranes that are more

stable under harsh process conditions, including extreme pH or oxidizing conditions, or high

temperatures.

There are many potential applications for high-stability NF membranes in water treatment processes.

Efficient membranes need to simultaneously have consistent porosity while being able to effectively

retain contaminants. Novel polymeric NF substrates are being developed to efficiently produce water

without degrading in the presence of chlorine or high/low pH that can treat impaired water resources

such as coal bed methane (CBM) produced water. CBM produced water usually has low salinity, but

the presence of trace contaminants including organics and heavy metals make treatment required so

that the water can be re-used beneficially. Increased natural gas production has led to the generation

of large volumes of CBM water, but the water has not in general been reused due to a the lack of

efficient, economically viable, treatment technologies. My investigation into the applicability of NF

membranes for CBM produced water treatment is being undertaken in partnership with membrane

manufacturers that are developing new membrane technologies.

My research has involved bench-scale experimentation to assess the ability of novel NF treatment

processes to treat CBM produced water. A state of the art supervisory control and data acquisition

(SCADA) system was developed to tightly control experimental conditions and record measurements

in real-time. By varying the temperature and chemical composition of the experimental feed solutions

143

I was able to study the effect of operating conditions and membrane properties on process

performance in term of water flux and contaminant rejection. Water samples collected during

experiments were analyzed with ion chromatography (IC) and inductively coupled plasma mass

spectrometry (ISP-MS) to quantify the concentration of salts in water samples. To study the retention

of organic matter, total organic carbon (TOC) analysis was used.

I will obtain more samples of novel NF membranes from manufacturing companies to further

investigate their process performance as I continue this project. Initial results indicate that some of

the NF membranes tested were able to effectively retain organic compounds and divalent ions, even

at high temperature, while efficiently producing a freshwater permeate stream. My future

investigations will also include developing pretreatment techniques that would operate ahead of NF

membranes in a multi-step water treatment train to improve process efficiency and extend the

operational lifetime of NF membranes.

144

Earth: Poster Afternoon 91

Construction of a Three Dimensional Subsurface Framework Model and Geospatial Infastructure of the Muddy Creek Landslide Complex, Gunnison County, Colorado

Presenter: Benjamin Lowry

Degree Program: Doctorate Department: Geology & Geological Engineering Advisor: W. Zhou The Muddy Creek landslide complex is a large area of active and reactivating landslides that impact

the operation of both a state highway and Paonia Reservoir in Gunnison County, Colorado, United

States. Historically, the monitoring of this landslide has been conducted using different types of

techniques and disconnected investigations leading to protracted analysis and project knowledge

attrition. The extreme sizes of these landslides have made stabilization measures prohibitive and few

options exist for mitigation. Although significant field investigations were completed on these

landslides after the 1986 and 1987 movements, these studies have not been updated. This study

presents an integrated investigation platform that supports continued kinematic monitoring, document

cataloguing, and subsurface modeling of the landslide complex. A geographic information system

(GIS) was integrated with a visual programming based subsurface model to facilitate modular

integration of monitoring data with borehole information. Subsurface modeling was organized by

material type and activity state based on multiple sources of kinematic measurement. The system is

organized to accept new borehole information as it becomes available, as well as integrate updates to

surveying data, or reclassification of surficial deposits. The framework is constructed to modularly

integrate remotely sensed imagery and other spatial datasets such as LiDAR-derived elevation

products as more precise datasets become available. The framework allows for terrestrial LiDAR

survey error estimation, borehole siting, and placement of wireless sensor (GPS, accelerometers,

geophysical) networks for optimized spatial relevance and utility. Coordinated spatial referencing

within the GIS facilitates geotechnical and hydrogeological modeling input generation and common

display of modeling outputs.

145

Earth: Poster Afternoon 92

Flexural Response to Sediment Erosion and Unloading at Valles Marineris, Mars

Presenter: Brian Davis

Degree Program: Doctorate Department: Geophysics Advisor: Jeffrey Andrews-Hanna The origin and evolution of the Valles Marineris canyon system and its eroded stacks of interior

layered deposits (ILD) on Mars remains as one of the most debated topics in Martian tectonics. The

troughs and their surroundings have distinctive topographic and gravitational signatures. The broad

topographic uplift around the periphery of the canyon system, along with a pronounced negative

gravity anomaly within the troughs, indicate that the deep depressions are not isostatically

compensated, but rather are flexurally supported as a negative load on the lithosphere. In this study,

we used a thin-shell, elastic lithospheric loading model in order to determine the flexural response of

the lithosphere due to the removal of the sediment load that once filled the canyons. Using the results

of the flexure modeling, we also forward modeled the gravitational anomaly that would arise from the

flexural uplift. The model results show a strong correlation between the observed gravity and

topographic relief of the Valles Marineris region, and that which would be expected from flexural

response of sediment unloading. This work suggests that lithospheric flexure played a significant role

in the evolution of Valles Marineris, and that tectonic models must take the flexural response into

account. Future work will involve localized admittance analysis to better constrain model results, and

mapping the stresses that this uplift would produce in order to understand how they interact with the

regional stress field.

146

Earth: Poster Afternoon 93

Time-lapse Geophysical Monitoring for Hydraulic Assessments of Embankment Dams and Levees: Detecting and Monitoring Internal Erosion

Presenter: Scott Ikard

Degree Program: Doctorate Department: Geophysics Advisor: Andre Revil Dams have a large impact on societies. They provide electricity, irrigation, flood control and

recreation, yet they pose potential public safety, environmental and national security hazards. They

therefore must be regulated, inspected and maintained frequently to conform to public safety

standards. There are approximately 85,000 dams in the U.S. that are subjected to various monitoring

and inspection regimes as required by state law based upon their hazard classification and other

factors. However, the current regulatory framework is arguably flawed, and the inspection and

monitoring methods and frequencies employed are often insufficient to detect in a meaningful and

useful timeframe the spatially and temporally variable characteristics of the failure modes that

typically breach these structures. Thus, this research will contribute to the policy and technical

aspects of dam safety assurance and regulatory practices through 1) deconstructing the current

regulatory paradigm in the state of Colorado to propose alternative models for incentivizing and

assuring dam safety, and 2) developing better engineering methods for monitoring embankment

dams and levees to accurately detect problematic failure mechanisms with non-invasive, high

resolution, time-lapse geophysical data. Time-lapse electrical and acoustic geophysical techniques

are studied and applied to 1) improve methods of data processing, time-lapse inversion and

hydrogeological interpretation for real-time monitoring networks, 2) originate methods of time-lapse

hydraulic site characterization for real-time observations of permeability and flow velocities through

these structures, and 3) map seepage zones and detect the initiation and continuation phases of

internal erosion within these zones. These goals are being pursued through basic laboratory research

and applied field research. This research will assist in achieving the overall long-term research goal of

developing an autonomous, wireless decision support system that will perform geophysical and

geotechnical monitoring, modeling and risk assessments, early identifications of internal erosion and

piping in field scale embankment dams and levees, and early warnings in the event of imminent

catastrophic failure.

147

Environment: Poster Afternoon 94

Release of metals in freshwater aquifers exposed to leakage of CO2

Presenter: Assaf Wunsch

Degree Program: Doctorate Department: Hydrology Advisor: John McCray CO2 leakage into freshwater aquifers is a major concern accompanying carbon sequestration

operations. It was shown in previous experimental studies that elevated concentrations of CO2 in

aquifers result in release of some minor and trace elements into solution, and decrease in

concentration of others. The major factor controlling the release of metals is thought to be the acidity

caused by CO2 dissolution into formation waters. Carbonate aquifers should have the ability to buffer

increased acidity through calcite and dolomite dissolution, and are therefore theoretically “safer” than

non-buffering aquifers. However, carbonate minerals, including calcite and dolomite, are rarely found

as pure phases in nature, and often contain impurities which may exceed 1000 ppm in the solid

phase, substituting either for calcite or for carbonate in the lattice. The buffering of acidity, then,

should lead to massive dissolution of carbonate minerals, but also potential release of trace elements.

Whole-rock analysis revealed solid-phase concentrations of Pb and Cr on the order of several ppm,

and of Ba, Co, Ni, Rb, Sc and Zn on the order of tens or hundreds of ppm. Prediction of the behavior

of these metals through modeling is difficult, as there are several models attempting to describe co-

precipitation and dissolution of solid solutions. In addition, not all metals show the same dissolution

trend (i.e., stoichiometric dissolution) when modeled under various CO2 partial-pressures. In this

work, batch dissolution experiments of carbonate rocks are combined with high-resolution inspection

of rock samples. The dissolution experiments intend to investigate dissolution rates and equilibrium

release of metals, while the SEM and electron-probe scans allow pin-point determination of the metal

source.

148

Environment: Poster Afternoon 95

Political Risk Assessment of Syria

Presenter: Noelle Tarabulski

Degree Program: Master's Department: LAIS Advisor: Dr. Hussein Amery Syria is a state with significant potential if it would learn how to focus on peace and prosperity instead

of border disputes. Though it is effectively a dictatorship structured like a democracy, it is fighting to

transition into the modern era. The biggest challenges remain corruption, social unrest, security

instability and a population that is significantly under educated relative to developed states.

Investment in Syria is more an effort to ameliorate social conditions while securing a foothold

in infrastructure of an emerging economy. We recommend only the most risk taking aggressive

investors consider investment in Syria right now. Letting Syrian Leadership prove they are dedicated

to a free market environment and a future democracy is a result that President Assad will need to live

and display daily by his words and deeds.

149

Environment: Poster Afternoon 96

The Emerging Political and Economic Importance of the Ghanaian Small-scale Mining Community

Presenter: Ben Teschner

Degree Program: Master's Department: LAIS Advisor: John Heilbrunn The purpose of this paper is to argue that the informal small-scale mining (galamsey) sector is

emerging as a productive, politically-significant group in Ghanaian society. This paper will show that

underemployment coupled with geologically simple deposits and high gold prices have drawn

unskilled individuals to the relatively high wages provided by the sector. The paper will show that the

large galamsey community has been activated by politicians during elections with promises of

legalizing the sector or streamlining the process to enter the formal sector even though the former is

simply unrealistic and the state lacks the capacity to develop the later. This paper proposes that the

Ghanaian government enforce current illegal mining laws and provide incentives for illegal miners to

migrate to the formal small-scale mining sector. Additionally, the state must focus on effectively

reinvesting significant portions of royalty revenues from large-scale companies back into the gold rich

regions for the purposes of developing non-mining alternative means of employment and economic

opportunities to those currently working in the galamsey sector.

150

Energy: Poster Afternoon 97

Soft Error Detection and Recovery for High Performance Linpack

Presenter: Teresa Davies

Degree Program: Doctorate Department: Math & Computer Science Advisor: Zizhong Chen In high-performance systems with many components, the probability of a failure is higher the larger

the system is. It is possible that errors may occur in calculations that are not detected by any existing

form of error correction. We introduce a technique for detecting errors in an algorithm-based

approach, and recovering from any errors that occur. Our technique is based on our previous method

for recovery in the case of fail-stop failures using checksums. We have extended the checksum

method to both detect and recover fail-continue failures. We use the same recovery method; the

difference is the addition of the detection method.

Our original approach is related to algorithm-based fault tolerance (ABFT), which can be used to

detect errors. ABFT only guarantees that a checksum added to a matrix will be correct after an

operation is done on the matrix. If it is used to deal with soft errors, when the checksums show that

the calculation is incorrect, the only possibility is to repeat the calculation. All variations of our

approach guarantee that the checksum will also be correct during the calculation, so that it can be

used to detect or correct an error when it occurs. This requirement adds the limitation that some

algorithms cannot be made to maintain the checksum at each step, but has a large benefit in

performance.

We have several variations in the details of how this approach is applied to the algorithm in High

Performance Linpack (HPL). We will test experimentally how the different variations compare. It

should be the case that different approaches will be best for different error rates. If the error rate is

lower, a lower overhead version will be usable. For higher error rates, we can verify the checksums

more often in order to ensure that the calculation can be recovered immediately, at the cost of a

higher overhead.

Our approach uses two checksums - one local that is used to detect errors, and one global that is

used to recover. The local sum is checked often, and if it is inconsistent, then it is necessary to

recover using the global sum. The recovery method is the same as in our previous work, which

assumes that the failure is detected by some other system. However, in the case of a soft error, it is

possible that it cannot be detected by any other means. This is the motivation for our current work.

151

Environment: Poster Afternoon 98

Localization in a Limited Linear Environment

Presenter: Nicholas Gerstle

Degree Program: Undergraduate Department: Math & Computer Science Advisor: Qi Han Mines and tunnels bring significant dangers to their visitors, nearly all of which can be moderated by

knowing inhabitant locations. Tracking and determining locations using per-established wireless

networks is a well-researched area, but linear localization in radio-restricting environments such as

mines and tunnels is less developed. Two general localization types exist- active, requiring a beacon

on transient objects, as well as a wireless infrastructure ti track said beacons; and passive, using

other sensors or environmental changes to detect visitors. This project investigates the potential for a

passive localization scheme tracking individuals and vehicles in contrast to a more restrictive and

expensive active network.

The research consists of two phases. The first phase is an investigation of active localization in the

Edgar Experimental Mine, using a time-invariant localization algorithm to calculate distance between

moving 'beacons' and infrastructure 'nodes' based on path losses of an 2.4 GHz wireless signal.

Contrasted to independent location measurements for control, these path loss measurements allowed

the system to achieve an average error in distance prediction under 20%. The second phase will

include only the infrastructure nodes mentioned prior. In order, each node will broadcast for a set

period, followed by listening to the background 2.4 gHz noise floor while it's companions broadcast,

producing a unique signature for the state of the mine at any one point in time. Variances in this

signature indicate variance in the only real environment variables- the location of large objects.

Collecting this data and filtering the results through a machine learning algorithm should allow for

valuable localization information without the need to affix 'beacons' to all moving persons and

vehicles.

152

Energy: Poster Afternoon 99

Optimizing Process-to-Core Mappings for Two Dimensional Broadcast/Reduce on Multicore Architectures

Presenter: Christer Karlsson

Degree Program: Doctorate Department: Math & Computer Science Advisor: Zizhong Chen Today's trend is to introduce applications using larger simulations and working with larger datasets.

This has pushed the size of the HPC from tens of thousands to hundreds of thousands cores. More

algorithms that these simulations use are dependent upon a highly efficient collective

communications. Along with this, the power- and thermic-barrier has caused the CPU vendors in an

attempt to uphold the expected performance progression to abandon the traditional frequency

improvements and use multicore architecture, which has caused programmers new problems.

During initialization the MPI library provides both the tools necessary for passing messages and

creating a mapping between processes and physical cores in the system. Even though this is a

convenient feature and relieves the programmer from the work of mapping, problems do remain. MPI

is unaware of the computation structure that will take place as well as the physical aspects of the

system topology. The provided mapping can therefore, at times, prevent the HPC application from

reaching its optimal potential.

This poster presents two different collective communications (reduce and broadcast) using MPI on

systems with multicore architecture. The problem is narrowed to the pipeline version under the

assumption that the performance on messages with considerable size will benefit the most. Testing

revealed that the standard MPI initialization on a multicore system is not optimized; reason being,

this mapping does not account for the times a specific message passes beyond the boundary of a

single node. Our implementation suggests distinguishing between inter- and intra-communication,

and minimizing the number of times a message crosses the boarder of the node will significantly

improves the performance.

We will introduce the concept of tiling. Each node is interpreted as a tile, with its shape dependent on

the communication type, size and shape of the grid in which it occurs. The mapping over n-

dimensions becomes a complex task even with few processes on a small grid, but can be reduced to

determining a tile’s best shape to cover a grid to create an optimal performance. We will describe the

implementation of an algorithm that automatically re-maps the processes given the information

153

regarding both the size and structure of the grid and the number of processes. The implementation

automatically determines the number of cores per node and finds an optimal shape for a single tile.

Our implementation has been done in OpenMPI and the experimental evaluation demonstrates

significant improvements.

154

Earth: Poster Afternoon 100

Effects of Collaborative Learning and Other Pedagogies on Recruitment and Retention of Women in Undergraduate Computer Science at CSM

Presenter: Julie Krause

Degree Program: Master's Department: Math & Computer Science Advisor: Irene Polycarpou As percentages of women in computing jobs and university programs decline, recruiting and retaining

women in the field of Computer Science (CS) becomes an increasingly important issue. The

percentage of women in the U.S. completing bachelor’s degrees in computer and information

sciences is much lower than men. According to the most recent data from the National Center for

Educational Statistics, females obtained 22.2% of those degrees in 2005 and the percentage declined

to 17.6% in 2008. These concerns are of particular interest at Colorado School of Mines (CSM), since

only 15% of the undergraduate students enrolled in the CS program are female. Introductory level CS

courses offer the opportunity to introduce women to CS studies and to shape their perceptions of CS.

Our research is an exploration of instructional methods within the Introduction to Computer Science

course at CSM (CSCI 101) that may have the potential to attract women into the CS major or to

encourage women currently pursuing CS studies to continue on that path. The investigation includes

a detailed examination of effects of pedagogies that involve collaborative learning, such as formal

learning groups and cooperative computer games. Our study incorporates collection of data via

student surveys, as well as individual interviews and focus groups, to ascertain students’ perceptions

of their experiences in CSCI 101 and perceptions of the CS field in general. The purpose of our study

is to identify common themes in student perceptions of different components of the course by

measuring changes in student perceptions of CS and intent to pursue CS studies, from the beginning

to the end of the semester. CSM and other institutions may benefit from the results of our study (i.e.

aspects of the course that are identified as effective at recruiting and retaining women) by continuing

or adopting practices that are identified as successful.

155

Energy: Poster Afternoon 101

Effect of Pre-Strain and Composition on Microstructural Evolution and Resulting Stress Rupture Life and Ductility in INCONEL® 740 Series Superalloys

Presenter: Andrea Casias

Degree Program: Master's Department: Metallurgy & Materials Science Advisor: Chester Van Tyne and Kip Findley Increasing energy demands as well as a desire for reductions in Carbon Dioxide (CO2) emissions

have led to the development of advanced ultrasupercritical (AUSC) steam boilers. These types of

boilers have the potential to operate at an efficiency of 50%. However, such boilers require materials

that are able to provide years of service at operating temperatures up to 760 ºC and pressures of 35

MPa. Austenitic stainless steels currently used in boiler applications do not provide sufficient creep or

oxidation resistance and do not meet the demands of such harsh environments. Nickel-based

superalloys have been identified as potential materials for these boiler applications. INCONEL® 740

performs adequately and produces the beneficial γ' phase when subjected to these high temperatures

for long times. However, this material has poor weldability. For this reason, INCONEL® 740H was

developed. Unfortunately, this material does not have adequate stress rupture life. Studies have

shown that pre-strain prior to testing has increased the stress rupture life of the material. Four

INCONEL® 740 series alloys will be stress rupture tested for 1000 hours with pre-stains of 0 and 10%.

The effect of chemical composition, fabrication history, and pre-strain on the microstructural evolution

of carbides and γ' phase in nickel-based superalloys will be evaluated using extensive metallography.

156

Energy: Poster Afternoon 102

Free Carrier Pump-probe Analysis of Carrier Recombination in Semiconductors

Presenter: Ari Feldman

Degree Program: Doctorate Department: Metallurgy & Materials Science Advisor: Richard Ahrenkiel One of the principal issues related to measuring carrier lifetime by the various photoconductive decay

methods is that the techniques measure the product ∆nµ(∆n), where ∆n is the photogenerated

excess carrier density and µ is the mobility that varies with ∆n. The incorrect assumption is often

made that µ is constant during the decay process, but that is only true during very low injection

conditions. We have developed a pump-probe configuration to measure transient electron-hole

recombination in semiconductor materials. The apparatus uses a pulsed pump beam to generate

electron-hole pairs in a variety of semiconductor materials. The YAG pump laser is operated in the

fundamental or second harmonic mode. The probe is a steady-state 10.6 µm CO2 laser that passes

through the sample in a region that is spatially coincident with the pump beam. The transient free-

carrier absorption is observed using a pyroelectric detector to monitor the transient transmission

through the sample. The free carrier absorption varies as λ2∆n/µ, where λ is the wavelength of the

probe, ∆n is the transient free carrier density, and µ is the carrier mobility. Thus, the transient is

proportional to the pump generated free carrier density and varies as ∆n if the assumption of constant

mobility is assumed. In parallel with this measurement, we use the existing transient photoconductive

decay by a method known as resonant-coupled photoconductive decay (RCPCD). The latter

measures a quantity proportional to ∆nµ. The RCPCD decay technique also employs the same 1064

nm pump laser, and a coupled antenna operating at 450 MHz. The same pump laser was operated at

comparable optical power densities in both measurement systems. Mobility variation at high injection

levels can be attributable to a number of mechanisms including carrier-carrier scattering and space-

charge limited currents. By combining these two measurements, we were able to eliminate the

mobility variation and produce a quantity that is truly proportional to the excess carrier decay time. In

addition, these data allow the investigation of the mobility variation with ∆n and thereby analyze basic

mobility mechanisms.

157

Energy: Poster Afternoon 103

Structure-Property Relationships of Ni-Ti-Pt High Temperature Shape Memory Alloys

Presenter: Grant Hudish

Degree Program: Doctorate Department: Metallurgy & Materials Science Advisor: Dr. Kaufman

Within the past decade, NASA has been developing high temperature shape memory alloys

(HTSMAs) for use as simple, robust, and lightweight solid-state actuators. Shape memory alloys

(SMAs) as actuators are considered non-conventional and advanced actuation devices and are

capable of providing a power to weight ratio greater than that of DC motors, pneumatic systems, and

comparable to that of hydraulic systems, in a much more compact and simplified geometry. Alloys of

Ni and Ti in equal amounts are the commercially prevalent SMAs, but are limited to uses near room

temperature. Increasing the transformation temperature of traditional SMAs would allow for their use

in various industries including aerospace, automotive, and down hole energy exploration, to name a

few. Alloying additions of Pd, Pt, Au, Hf and Zr all increase the transformation temperatures of Ni-Ti

alloys and at least potentially allow for their use in higher temperature applications. Pt is currently

one of the most promising ternary additions for stable and predictable SMAs for use at high

temperatures, but little is understood about the effects of Pt on the microstructure and mechanical

properties of Ni-Ti alloys. The current research explores the link between alloy microstructures and

the mechanical (shape memory) properties of Ni-Ti-Pt alloys and the subsequent effects these

relationships have on the overall performance of Ni-Ti-Pt HTSMAs as solid state actuators.

158

Energy: Poster Afternoon 104

Hot-wire Chemical Vapor Deposition of Tungsten Oxide Nanoparticles for Use in Energy Applications

Presenter: Chi-Ping Li

Degree Program: Doctorate Department: Metallurgy & Materials Science Advisor: Colin Wolden Crystalline tungsten oxide nanoparticles were synthesized by hot-wire chemical vapor deposition

(HWCVD). These materials are being examined for use in numerous energy related applications

including electrochromic windows and fuel cells. It is possible to tune the particle morphology by

changing key synthesis parameters including filament temperature, substrate temperature, and

oxygen partial pressure. The resulting nanostructures are characterized by a number of techniques

including transmission electron microscopy, X-ray diffraction, and Raman spectroscopy. The

dependence of nanoparticle size and morphology will be described both as a function of HWCVD

synthesis conditions as well as post-deposition annealing treatments. The resulting nanoparticles are

suspended in solution and used to form thin films on transparent conducting oxide coated glass

substrates using an ultrasonic spray deposition process. Ultrasonic spray coating is a cost effective,

scalable deposition process that offers an excellent route to achieve large-scale implementation of

electrochromic films. Important ultrasonic spray variables include substrate temperature, precursor

concentration, carrier solvent and other parameters related to solution atomization. The

electrochromic properties of these films were characterized by performing cyclic voltammetry in

registry with in situ measurements of optical transmission. Particular attention is paid to optimizing

performance metrics such as coloration efficiency and cycling stability. The tungsten oxide

nanospheroids exhibit 10% more transmission change and 10% better coloration efficiency than

tungsten oxide nanorods.

159

Environment: Poster Afternoon 105

Agent-Based Modeling: Diffusion of Innovation in The Mining Industry

Presenter: Hendro Fujiono

Degree Program: Doctorate Department: Mining Engineering Advisor: Masami Nakagawa This research aims to provide the framework of Agent-Based Modeling to capture the dynamics of

innovation diffusion in the mining industry. The diffusion of innovation in the mining industry is a

complex process in a complex system because of the heterogeneous entities (e.g. manufacturers,

mining companies, government agency) and an extensive set of inter-connected external variables

(e.g. commodity price, regulations). These different entities have different roles and characteristics

related to innovations. Moreover, they interact and adapt their behavior to their environment to remain

competitive in the industry.

Agent-Based Modeling and Simulation (ABMS) is a potential tool to model the Complex Adaptive

System (CAS). The ABMS is a “bottom-up” approach in studying a CAS because it focuses on the

detail construction of every agent in CAS. These agents are autonomous discrete entities with various

sets of behavior rules. Agents can represent different components in the living systems, individual

living organism, people, or group of people (firm, organization). Therefore, the ABMS approach is

applicable in the biology, politics, economics, business management, public policy, military,

operations research, traffic simulation, geographic systems and anthropology research fields.

In this research two types of agents are created: mining companies and equipment manufacturers.

Both agents observe, interact, and adapt their behavior by following some sets of rules. The main role

of mining companies is the potential adaptor while the equipment manufacturers are the producers of

technology. Mining companies have different sets of internal and external adoption factors such as

deposit characteristics, price of commodity, mining cost, strategy, adoption threshold, performance

criteria, and operator’s familiarity with the older technology. They also have decision making

procedures in evaluating the most favorable technology for their mining operations. On the other hand,

equipment manufacturers have different sets of knowledge and strategy in searching and producing

technology for the industry.

This research performs a set of sensitivity analyses on different adoption factors to gain an insight

about the complexity in the diffusion process of innovation. Different parties with interest in

160

introducing and stimulating innovation (idea, technology, practice) to the mining industry can utilize

this insight in designing their strategy and approach.

161

Energy: Poster Afternoon 106

Alkaline Leaching and Recovery of Uranium

Presenter: Erik Hunter

Degree Program: Doctorate Department: Mining Engineering Advisor: Mark Kuchta The goals of this research are to contribute to the scientific understanding on: 1) the use of oxidants

in an alkaline heap leaching system for mine waste, 2) efficient recovery of uranium via electrolytic

precipitation and 3) a modeling framework for application of the leaching and precipitation processes. .

The two main hypotheses that will be tested are: 1) oxidants can be used to accelerate the rate of

uranium recovery and 2) electrolytic precipitation will selectively recovery uranium.

162

Energy: Poster Afternoon 107

Numerical simulation of coupled processes for multiphase flow, rock deformation and heat transfer in enhanced geothermal systems

Presenter: Perapon Fakcharoenphol

Degree Program: Doctorate Department: Petroleum Advisor: Dr. Yu-Shu Wu Most of geothermal reservoirs are situated in low permeable rocks. Well-connected cracks and

fractures provide high permeable fluid-flow path to un-fractured tight rock matrix. Under an external

stimulus, the contrast of rate of change of thermodynamics properties between high permeable

fractures and tight matrix rocks causes large thermodynamics variations between the two medium. In

addition, in EGS reservoirs, natural cracks and fractures are typically scarce. Artificial fractures or

hydraulic fractures will be vital to provide additional high permeable flow path for an underground fluid

flow and heat exchanger. To efficiently simulate mass and energy transport in a fractured rock,

special numerical schemes are necessary.

We developed a reservoir simulator for numerical simulation of fully coupled rock mechanics, fluid

flow and heat transfer for Enhanced Geothermal Systems (EGS). The continuum modeling approach

is used in the model formulation to simulate multiphase fluid and heat flow, coupled with rock

deformation in fractured and porous rock. The simulator is built on the TOUGH2-EOS3 module

(Pruess et al. 1999). An EGS reservoir may comprise of different scale of fractures under the coupled

effects of multiphase fluid and heat flow and rock deformation. The key capability for an EGS

simulator is how to handle fluid and heat flow in such different-scale fractures. In the model, we

represent different-scaled fractures or fractured zone using different fracture conceptual models,

including (1) single continuum; (2) multiple continuum; (3) discrete fracture model, and (4) hybrid

approach. In handling effect of rock deformation, we use a simplified assumption, i.e, the in situ total

stress in reservoirs is constant or a function of spatial coordinates only. This assumption may provide

a reasonable approximation for flow in a deep formation such as in most oil/gas and geothermal

reservoirs.

The numerical scheme is verified against the analytical solution classical one-dimensional

consolidation problem presented by Terzaghi (1943). The model was used to run a closed loop

circulation of EGS reservoir with one injector and one producer. The calculation results showed that

163

thermal induced stresses is more pronounced than pressure induced stresses especially close to the

injector well.

164

Energy: Poster Afternoon 108

Hydrate Risk Assessment and Restart Procedure Optimization of an Offshore Well using a Transient Hydrate Prediction Model

Presenter: Luis Zerpa

Degree Program: Doctorate Department: Petroleum Advisor: Carolyn Koh A produced hydrocarbon stream from a wellhead encounters formation of solid gas hydrate deposits,

which plug flowlines, and are one of the most challenging problems in deep subsea facilities.

Development of a comprehensive gas hydrate model, that predicts when and where hydrate plugs will

form in flowlines, is of paramount importance for the oil and gas industry. This paper describes a gas

hydrate model for oil-dominated systems, which can be used for the design and optimization of

facilities focusing in the prevention, management and remediation of hydrates in flowlines. Using a

typical geometry and fluid properties of an offshore well from the Caratinga Field located in the

Campos Basin in Brazil, the gas hydrate model is applied to study the hydrate plugging risk. Two

scenarios are studied, one considering a water-in-oil stable emulsion and the other in which water is

allowed to separate from the continuous oil phase; identifying the latter with a higher plugging risk.

The gas hydrate model is used to optimize different production restart procedures of the offshore well,

including injection of thermodynamic hydrate inhibitors and displacement with crude oil. A series of

"best practices" obtained with the gas hydrate model are presented, which can be easily transmitted

to the flow assurance community.

165

Energy: Poster Afternoon 109

Experimental and Numerical Modeling of Double Displacement Oil Recovery in Fractured Carbonate Reservoirs

Presenter: Ali Al-Sumaiti

Degree Program: Doctorate Department: Petroleum Advisor: H. KAZEMI Carbonate reservoirs contribute significantly to the world’s crude supply. Yet, significant technical

work is required not only on geological aspects but also on engineering aspects. Carbonate

reservoirs are highly heterogeneous and require careful analysis. Presence of fractures adds

additional complexity to the reservoir performance. With the current high world demand on crude oil

and the limited number of giant fields, it becomes crucial to take advantage of the existing reservoirs

and use more efficient production methods to produce additional oil.

Historically, waterflood has been the most popular approach for improved oil recovery in the industry

because of the ease of implementation and favorable economics. On the other hand, gravity drainage

process is one of the most effective mechanisms for such fields. In early 90’s, Amoco came up with a

label called “double displacement process (DDP),” which is a reference to gas injection after

waterflooding. The implementation of this method has produced significant amount of oil from the

water-invaded zones in a field application. In laboratory, this method has proven its efficiency to

increase oil recovery in single-porosity sandstone both in laboratory scale and in field scale. However,

the application of this method in carbonate reservoirs has not been reported in the literature.

Irrespective of the wettability, water flooding experiments have several issues which include time-

consuming experiments, and capillarity end effect. These issues make centrifuge experiments better

choice. In my research work I focused on the latter.

Specifically, the objective of this research was to perform centrifugal experiments in carbonate cores

including artificial fractures and scaling the prototype to field model using a simulation model

consisting of dual porosity system for the DDP. In fact, centrifuge experimental results have

confirmed the effectiveness of DDP to enhance oil recovery in carbonate cores, which will be reported

in this paper.