Simulation Of BioprocessERT 315
3
Modeling and Assessment in
Process Development
Process design and development
Modeling and simulation
Sustainabilityassessment
Stop
Process concept
Industrial application
LiteraturePatentsExpertknowledge
Eco-efficient
Not eco-efficient
Improvementneeded
Integrated development of bioprocesses
• Close collaboration with the process design
• Additional information from patents, literature, and other external sources
• Simulation used to evaluate the process and guide the R&D to the overall aim
• Repeated iteratively
4
Batch/Bioprocess Modeling,Scheduling & Optimization
Subject covered Modeling and optimization of batch and
continuous processes
Batch Process Scheduling
Resources and inventory tracking
Cost analysis & project economic evaluation
Throughput Analysis & Debottlenecking
What is “Process Simulation”?
Q: What does the word “simulate” mean?
Building a process model Predicting how a process would actually behave Performing an experiment (on computer)
Incentives: Highly cost effective Reasonably accurate Proactive approach
IDEA GENERATIONProject Screening, Strategic Planning
PROCESS DEVELOPMENTEvaluation of Alternatives
Common Language of Communication
FACILITY DESIGNEquipment & Utility Sizing and Design
MANUFACTURINGOn-Going Optimization, Debottlenecking
Production Scheduling, Capacity Analysis
Development Groups
Development GroupsProcess EngineeringCorporate EnvironmentalTech Transfer
Manufacturing
The Role of Process Simulation and Scheduling Tools inProduct Development and Commercialization
Process Simulation and Enterprise Modeling
INTELLIGEN, INC.
“A model should be as simple as possibleand no simpler” – Albert Einstein
What is a “model” ?What is a “model” ?
Sequential modular approachSequential modular approach Individual equipment blocks may require
iterative solution algorithms
Overall process solution is sequential & not iterative
(Turton et al., 1998)
Sequential modular approachSequential modular approach
Objectives of simulationObjectives of simulation
ProcessThroughput
BatchSize / Batch
Cycle Time
• Raw Materials• Labor• Utilities• Capital Expenses
Product(s)
Waste
Commercial process simulatorsCommercial process simulators
Oil, Gas &Petrochemicals
Oleo Chemicals
Specialty Chemicals
Aspen Plus
HYSYS
Provision
Design II
SuperPro
SS Simulation
Dynamic Simulation
Batch
Solids
Pinch
Phys Prop
Sizing & Costing
Economics
Rating
Sensitivity Analysis
Optimization
SuperPro Designer (SPD)SuperPro Designer (SPD)
Water PurificationWastewater TreatmentAir Pollution Control
BioPro Designer
SuperPro Designer
BatchPro Designer
EnviroPro Designer
BiotechnologyBio-Fuels
Fine ChemicalsPharmaceuticalsFood ProcessingMineral Processing
SchedulePro Scheduling and Debottlenecking of Multi-Product Facilities
Available toolsAvailable tools
•Intuitive user interface
•Wide variety of unit operation models
•Databases for components and mixtures
•M&E Balances of Integrated Processes
• Equipment Sizing and Costing
• Project Economic Evaluation
• Process Scheduling & Cycle Time Analysis
• Throughput Analysis & Debottlenecking
• Environmental Impact
• Detailed Reports and Charts for the Above
User Interface of SuperPro Designer
Double-Click
Detailed Modeling using Unit Procedures and OperationsDetailed Modeling using Unit Procedures and Operations
Operations Gantt ChartOperations Gantt Chart
Equipment Occupancy ChartEquipment Occupancy Chart
• How can I schedule production during the next 6-18 months?
• How can I schedule operations in an R&D facility?
• How to adjust scheduling if priorities change?
• Can I fit a new product into my facility?
Scheduling Questions Scheduling Questions
Resource Demand ChartResource Demand Chart
Labor Demand ChartLabor Demand Chart
Raw Materials
Equipment
Labor
Consumables
Lab/QC/QA
Waste Trtm/Disp
Utilities
Cost Breakdown
Raw materials$0.88/g39.6%
Facility$0.54/g24.4%
Consumables$0.65/g29.1%
• What is the required capital investment for a new plant?
• How much would it cost to make a kilo of product?
• Which process is better for making this product? A or
B?
• How can I reduce the operating cost of a process?
Cost Analysis QuestionsCost Analysis Questions
Stream Dialog – Env. Properties Tab
INTELLIGEN, INC.
Environmental Impact ReportEnvironmental Impact Report
Bottleneck identificationBottleneck identification
• How much product can I make in this plant?
• What limits the current production level?
• What is the capital investment for increasing production?
Debottlenecking QuestionsDebottlenecking Questions
Steps in the development of a bioprocess
Dev
elo
pm
ent
step
s
Development processProduct idea
Production
Literature/patent review
Biocatalyst screening
Biocatalyst optimization
Medium and reaction condition optimization
Selection of downstream steps
Identification of PFD
Optimization of unit operations
Plant size
Scale-up : Lab – technical - industrial
Approval, clinical trials
Process modeling and uncertainty analysis
Economic and environmental assessment
• Goal of every process development: product• Product- should have a market, potential market, sufficient size that economically justifies
the required environment• Required literature and patent review – to clarify if there are similar products already on
the market or in the development• Find a biocatalyst (organism or an enzyme that catalyses the formation of the desired
product)- to reach an economically feasible product yield and concentration• The medium and reaction conditions are adjusted enable the best performance of the
catalyst- medium should be as simple and inexpensive as possible and the reaction conditions should provide the best environment for the biocatalyst
• The process flow diagram (PFD) put together all the operation• All unit operations have to be chosen and connected in an efficient and robust manner- to
maximize the overall yield• Determined the size plant- validate the market share of the product estimated at the
beginning• Scale up the process• Plan and implement the clinical trials for pharmaceuticals• Build a process models to estimate the material balance, energy consumption, labor
requirement and equipment needed
BiocatalystMolecular biology
MicrobiologyBiochemistryCultivation
ProcessBiochemical and process engineering
modeling
Bioprocess environment
Cost analysis
Supplychain
Strategic decisions/business strategy
Health andenvironmentalimpact
Patents,Intellectual property
Legal/regulatoryaspects
SafetyProduct Market/marketing