diapositiva 1 - aiche
TRANSCRIPT
28-Sep-14
2
Mobatec
Modelling Examples
Modelling Approaches
Our Approach
Conclusions
Example
www.mobatec.nl
ConclusionsMobatec Modelling Examples Modelling Approaches Our Approach Examples
28-Sep-14
3
www.mobatec.nl
Presentation OverviewOverview
- Company Overview
- Modelling Examples
- Application Areas
- Specific Issues
- Modelling Approaches
- Methodologies
- Modelling Wisdom
- Mobatec Approach
- Examples / Demonstration
- Conclusions
ConclusionsMobatec Modelling Examples Modelling Approaches Our Approach Examples
Specialisation
Expertise
Specialisation
Main Services and Products
Why Mobatec Modeller?
Why Modelling?
Mobatec
- Mathematical Modelling of any kind of process
knowledge in Chemical Engineering
- Modelling Activities for purpose of:
- Process Design
- Process Analysis
- Process Optimisation
- Process Control
- Real-Time Training Simulation
www.mobatec.nl
ConclusionsModelling Examples Modelling Approaches Our Approach Examples
28-Sep-14
4
Specialisation
www.mobatec.nl
Mobatec ConclusionsModelling Examples Modelling Approaches Our Approach Examples
Specialisation
Expertise
Main Services and Products
Why Mobatec Modeller?
Why Modelling?
Expertise
SpecialisationExpertise
- Reactor Modelling
- Homogeneous systems
- Heterogeneous systems
- Distillation
- Stripping
- Heat and Mass Transfer
- Vapour/Liquid interface
- Transfer from bulk fluid to particles
- Pore diffusion
- Adsorption on catalyst surface
- Multi-phase interactions
- Evaporation
- Polymers
- Crystallisation
- Thermodynamics
- Numerical Mathematics
- Software Development of
Modelling Tools
- Solver for large sets of
differential and algebraic
equations
- Modelling Environment
- Parameter Estimation
- Data Reconciliation
www.mobatec.nl
Mobatec ConclusionsModelling Examples Modelling Approaches Our Approach Examples
Main Services and Products
Why Mobatec Modeller?
Why Modelling?
28-Sep-14
5
Main Services and Products- Construction of Process Models
- Consulting Services Related to Mathematical Modelling
- Mobatec Modeller
- LauTrane Solver
Main Services and Products
www.mobatec.nl
Mobatec ConclusionsModelling Examples Modelling Approaches Our Approach Examples
Specialisation
Why Mobatec Modeller?
Why Modelling?
Expertise
Modelling can be Easy !
Mobatec
Mobatec Modeller builds on a structured modelling
methodology.
It is our goal to bring this easy to grasp modelling
methodology to the world and to teach engineers that
modelling can actually be quite easy and very valuable.
www.mobatec.nl
ConclusionsModelling Examples Modelling Approaches Our Approach Examples
Main Services and Products
Specialisation
Why Mobatec Modeller?
Why Modelling?
Expertise
28-Sep-14
6
www.mobatec.nl
Mobatec ConclusionsModelling Examples Modelling Approaches Our Approach Examples
Some of the Mobatec customers:
Why Mobatec Modeller?
Why Mobatec Modeller?
- Time spent on modelling often greater than time needed for finding solution
- Higher complexity of models
- Assist in model building
- Reduce time effort
- Reduce low-level modelling errors
- Provide input for existing simulators
- Increase maintainability of models
Models also understandable by persons who did not develop the
model
www.mobatec.nl
Mobatec ConclusionsModelling Examples Modelling Approaches Our Approach Examples
Specialisation
Why Modelling?
Expertise
Main Services and Products
28-Sep-14
7
Why Modelling?
Why Modelling?
- Control
- Design
- Simulation
- Optimization
- Etc.
www.mobatec.nl
Mobatec ConclusionsModelling Examples Modelling Approaches Our Approach Examples
Specialisation
Expertise
Main Services and Products
Why Mobatec Modeller?
What is a model?
www.mobatec.nl
Mobatec ConclusionsModelling Examples Modelling Approaches Our Approach Examples
Why Modelling?
Specialisation
Expertise
Main Services and Products
Why Mobatec Modeller?
28-Sep-14
8
Application Areas
Operator Training Simulator
Examples
Application Areas
Modelling Examples
- Process design
- Process control and diagnosis / PLC testing
- Troubleshooting
- Process safety
- Optimization
- Operator training / Real time simulation
- Research
- Engineering
- Environmental impact assessment
www.mobatec.nl
ConclusionsMobatec Modelling Approaches Our Approach Examples
Examples
Application AreasDiesel Oxidation Catalyst
Model features:
- Complex reaction scheme and reaction kinetics
- Validated model against pilot data
- Distributed parameter model
www.mobatec.nl
Modelling Examples ConclusionsMobatec Modelling Approaches Our Approach Examples
Operator Training Simulator
28-Sep-14
9
Safety and Risk Assessment (BLEVE Radiation)
www.mobatec.nl
Modelling Examples ConclusionsMobatec Modelling Approaches Our Approach Examples
Examples
Application Areas
Operator Training Simulator
Safety and Risk Assessment (BLEVE Radiation)
Model features:
- Empirical model based on field trials and actual explosion effects
- BLEVE size and duration computed
- Resource vulnerability based on stochastic (Probit) model
3D surface showing percent first degree burns for a BLEVE
www.mobatec.nl
Modelling Examples ConclusionsMobatec Modelling Approaches Our Approach Examples
Examples
Application Areas
Operator Training Simulator
28-Sep-14
10
Surge Control Design for a Hydrogen Compressor
Model features:
- Process model plus control elements considered
- Complex nonlinear dynamics and potential discontinuous behaviour
Head (bar) versus flowrate (kg/s) during controlled shutdown
www.mobatec.nl
Modelling Examples ConclusionsMobatec Modelling Approaches Our Approach Examples
Examples
Application Areas
Operator Training Simulator
Sugar Drying Control
Model features:
- Grey-box model based on mass & heat transfer combined with particle transport
- Validated model against pilot plant data
- Provides basis for model-based control system design
0 20 40 60 80 1000
0.005
0.01
0.015
0.02
0.025
time (minute)
Sug
ar fl
ow
(kg/
s)
Sugar flowrate versus time under startup and airflow changes
www.mobatec.nl
Modelling Examples ConclusionsMobatec Modelling Approaches Our Approach Examples
Examples
Application Areas
Operator Training Simulator
28-Sep-14
11
Wastewater Treatment
Model features:
- Complex biological reactions within a mechanistic model
- Validation against plant data challenging
- Provides basis for model-based plant and control system design
- Activated sludge process
- Clarification
- Process control
www.mobatec.nl
Modelling Examples ConclusionsMobatec Modelling Approaches Our Approach Examples
Examples
Application Areas
Operator Training Simulator
Operator Training Simulator
Operator Training Simulator
Model features:
- Physical model of entire production plant
- Should be able to predict from startup to 100% load, within desired accuracy
- Provides basis for model-based plant and control system design
- Large Dynamics Models
- Process control
- Disturbances
www.mobatec.nl
Modelling Examples ConclusionsMobatec Modelling Approaches Our Approach Examples
Application Areas
Examples
28-Sep-14
12
Operator Training Simulator
www.mobatec.nl
Modelling Examples ConclusionsMobatec Modelling Approaches Our Approach Examples
Operator Training Simulator
Application Areas
Examples
Operator Training Simulator
www.mobatec.nl
Modelling Examples ConclusionsMobatec Modelling Approaches Our Approach Examples
Operator Training Simulator
Application Areas
Examples
28-Sep-14
13
Operator Training Simulator
CLOSE
OPEN
www.mobatec.nl
Modelling Examples ConclusionsMobatec Modelling Approaches Our Approach Examples
Operator Training Simulator
Application Areas
Examples
Operator Training Simulator
CLOSE
OPEN
www.mobatec.nl
Modelling Examples ConclusionsMobatec Modelling Approaches Our Approach Examples
Operator Training Simulator
Application Areas
Examples
28-Sep-14
14
Operator Training Simulator
www.mobatec.nl
Modelling Examples ConclusionsMobatec Modelling Approaches Our Approach Examples
Operator Training Simulator
Application Areas
Examples
Operator Training Simulator
www.mobatec.nl
Modelling Examples ConclusionsMobatec Modelling Approaches Our Approach Examples
Operator Training Simulator
Application Areas
Examples
28-Sep-14
15
Operator Training Simulator
www.mobatec.nl
Modelling Examples ConclusionsMobatec Modelling Approaches Our Approach Examples
Operator Training Simulator
Application Areas
Examples
Operator Training Simulator
www.mobatec.nl
Modelling Examples ConclusionsMobatec Modelling Approaches Our Approach Examples
Operator Training Simulator
Application Areas
Examples
28-Sep-14
16
Augmented Reality
www.mobatec.nl
Modelling Examples ConclusionsMobatec Modelling Approaches Our Approach Examples
Operator Training Simulator
Application Areas
Examples
Augmented Reality
www.mobatec.nl
Modelling Examples ConclusionsMobatec Modelling Approaches Our Approach Examples
Operator Training Simulator
Application Areas
Examples
28-Sep-14
17
Augmented Reality
www.mobatec.nl
Modelling Examples ConclusionsMobatec Modelling Approaches Our Approach Examples
Operator Training Simulator
Application Areas
Examples
Augmented Reality
www.mobatec.nl
Modelling Examples ConclusionsMobatec Modelling Approaches Our Approach Examples
Operator Training Simulator
Application Areas
Examples
28-Sep-14
18
www.mobatec.nl
Modelling ExamplesMobatec Modelling Approaches
Control Room
Real Plant
Simulator
Operator Training Simulator
www.mobatec.nl
Modelling Examples ConclusionsMobatec Modelling Approaches Our Approach Examples
Operator Training Simulator
Application Areas
Examples
MMI
controller
I/O
Plant
Plant Control Room
MMI
controller
DynamicProcess
Simulator
Simulator
identical
28-Sep-14
19
Approaches
How to construct a ModelHow to construct a Model
Modelling Approaches
Modelling Wisdom
www.mobatec.nl
ConclusionsMobatec Modelling Examples Our Approach Examples
How to construct a Model
Approaches
Modelling Approaches
Unit operation oriented
(flow sheeting)
Equation orientedEquation and System based
www.mobatec.nl
Modelling Approaches ConclusionsMobatec Modelling Examples Our Approach Examples
Modelling Wisdom
28-Sep-14
20
Modelling Approaches (1)
Unit operation oriented / flow sheeting:
- Steady state modelling
- Mass and energy balances for free
- Configuration of predefined unit operations
- Inflexible when user models are to be created
- Sequential local solving of units (recycle problem)
- No problems with Degrees Of Freedom (DOF)
www.mobatec.nl
Modelling Approaches ConclusionsMobatec Modelling Examples Our Approach Examples
How to construct a Model
Approaches
Modelling Wisdom
Modelling Approaches (1)
Unit operation oriented / flow sheeting:
- Steady state modelling
- Mass and energy balances for free
- Configuration of predefined unit operations
- Inflexible when user models are to be created
- Sequential local solving of units (recycle problem)
- No problems with Degrees Of Freedom (DOF)
www.mobatec.nl
Modelling Approaches ConclusionsMobatec Modelling Examples Our Approach Examples
How to construct a Model
Approaches
Modelling Wisdom
28-Sep-14
21
Modelling Approaches (2)
Equation oriented
- Dynamic modelling
- Mass and energy balances to be coded
- Few options for predefined unit operations
- Flexible when user models are to be created
- Implicit global solving of units (no recycle problem)
- Problems with DOF of model
- Problems with initialization of model
www.mobatec.nl
Modelling Approaches ConclusionsMobatec Modelling Examples Our Approach Examples
How to construct a Model
Approaches
Modelling Wisdom
Modelling Approaches (2)
Equation oriented
- Dynamic modelling
- Mass and energy balances to be coded
- Few options for predefined unit operations
- Flexible when user models are to be created
- Implicit global solving of units (no recycle problem)
- Problems with DOF of model
- Problems with initialization of model
www.mobatec.nl
Modelling Approaches ConclusionsMobatec Modelling Examples Our Approach Examples
How to construct a Model
Approaches
Modelling Wisdom
28-Sep-14
22
Modelling Approaches (3)
Equation and system based
- Dynamic modelling
- Mass and energy balances for free
- Library of equations
- Easy extendable libraries for predefined unit operations
- Flexible when user models are to be incorporated
- No problems with DOF systems
- No problems with initialization per system
www.mobatec.nl
Modelling Approaches ConclusionsMobatec Modelling Examples Our Approach Examples
How to construct a Model
Approaches
Modelling Wisdom
Modelling Approaches (3)
Equation and system based
- Dynamic modelling
- Mass and energy balances for free
- Library of equations
- Easy extendable libraries for predefined unit operations
- Flexible when user models are to be incorporated
- No problems with DOF systems
- No problems with initialization per system
www.mobatec.nl
Modelling Approaches ConclusionsMobatec Modelling Examples Our Approach Examples
How to construct a Model
Approaches
Modelling Wisdom
28-Sep-14
23
Modelling Wisdom
Modelling Wisdom
- Modelling is a tool no goal in itself
- Universal models are uneconomical
- Complexity of model should be in line with goal
www.mobatec.nl
Modelling Approaches ConclusionsMobatec Modelling Examples Our Approach Examples
Approaches
How to construct a Model
Modelling Wisdom
- >> 100.000 equations- Long time to build model- Long calculations
www.mobatec.nl
Modelling Approaches ConclusionsMobatec Modelling Examples Our Approach Examples
Modelling Wisdom
Approaches
How to construct a Model
28-Sep-14
24
Modelling Wisdom
- Modelling is a tool no goal in itself
- Universal models are uneconomical
- Complexity of model should be in line with goal
- A model can not explain more than it contains
www.mobatec.nl
Modelling Approaches ConclusionsMobatec Modelling Examples Our Approach Examples
Modelling Wisdom
Approaches
How to construct a Model
Modelling Wisdom
- Modelling is a tool no goal in itself
- Universal models are uneconomical
- Complexity of model should be in line with goal
- A model can not explain more than it contains
Boiling of water
0
20
40
60
80
100
120
0 10 20 30 40 50
time (min)
tem
pera
ture
(de
gC
)
T(t)= Tend – (Tend-Tbegin)*e-(t-to)/τ
Heating of a Liquid
www.mobatec.nl
Modelling Approaches ConclusionsMobatec Modelling Examples Our Approach Examples
Modelling Wisdom
Approaches
How to construct a Model
28-Sep-14
25
Modelling Wisdom
- Be aware of the model’s purpose
- Be aware of the model’s assumptions
- Be aware of the model’s operating window
- “Garbage in, garbage out”
- Modelling is the art of leaving out
www.mobatec.nl
Modelling Approaches ConclusionsMobatec Modelling Examples Our Approach Examples
Modelling Wisdom
Approaches
How to construct a Model
Modelling Wisdom
“All models are wrong ….
…. some are useful !”
… George Box
“Models should be as simple as possible ...
…. but not simpler !”
… Albert Einstein
www.mobatec.nl
Modelling Approaches ConclusionsMobatec Modelling Examples Our Approach Examples
Modelling Wisdom
Approaches
How to construct a Model
28-Sep-14
26
Physical TopologyModelling Methodology: Step 1
Species Topology
Our Approach
Physical Topology
- “Break down” process into smaller, interconnected parts.
Elementary Systems Connections
- Two basic building blocks
Equation Topology
Dynamic Equations
Classes of Relations
Model Equations
Algebraic Equations
Examples
www.mobatec.nl
ConclusionsMobatec Modelling Examples Modelling Approaches Examples
Examples
Physical Topology Example 1Physical Topology
www.mobatec.nl
Our Approach ConclusionsMobatec Modelling Examples Modelling Approaches Examples
Species Topology
Equation Topology
Dynamic Equations
Classes of Relations
Model Equations
Algebraic Equations
28-Sep-14
27
Physical Topology Example 1
www.mobatec.nl
Our Approach ConclusionsMobatec Modelling Examples Modelling Approaches Examples
Examples
Physical Topology
Species Topology
Equation Topology
Dynamic Equations
Classes of Relations
Model Equations
Algebraic Equations
0
Physical Topology Example 1
www.mobatec.nl
Our Approach ConclusionsMobatec Modelling Examples Modelling Approaches Examples
Examples
Physical Topology
Species Topology
Equation Topology
Dynamic Equations
Classes of Relations
Model Equations
Algebraic Equations
28-Sep-14
28
00
Physical Topology Example 1
www.mobatec.nl
Our Approach ConclusionsMobatec Modelling Examples Modelling Approaches Examples
Examples
Physical Topology
Species Topology
Equation Topology
Dynamic Equations
Classes of Relations
Model Equations
Algebraic Equations
0
Physical Topology Example 1
www.mobatec.nl
Our Approach ConclusionsMobatec Modelling Examples Modelling Approaches Examples
Examples
Physical Topology
Species Topology
Equation Topology
Dynamic Equations
Classes of Relations
Model Equations
Algebraic Equations
28-Sep-14
29
0
Physical Topology Example 1
www.mobatec.nl
Our Approach ConclusionsMobatec Modelling Examples Modelling Approaches Examples
Examples
Physical Topology
Species Topology
Equation Topology
Dynamic Equations
Classes of Relations
Model Equations
Algebraic Equations
Species Topology
Modelling Methodology: Step 2
www.mobatec.nl
Species Topology
- Define “Chemistry” of process
H2O – Water
CH4 – Methane
O2 – Oxigen
N2 – Nitrogen
CO2 – Carbon Dioxide
CH4 + 2 O2 CO2 + 2 H2O
Species and Reactions in System:
Example:
Our Approach ConclusionsMobatec Modelling Examples Modelling Approaches Examples
Physical Topology
Equation Topology
Dynamic Equations
Classes of Relations
Model Equations
Algebraic Equations
Examples
28-Sep-14
30
Equation Topology
Modelling Methodology: Step 3
www.mobatec.nl
Equation Topology
- Information of Physical Topology and Species Topology .
- Define details, i.e. the Constitutive Equations: Select
equations for transfer laws, kinetics, geometry, equations
of state, etc. from (extensible) database.
Generating balance equations is trivial !
(Automated by Mobatec Modeller)
- Important for model completion: consistent set of equations
and consistent initial values.
Our Approach ConclusionsMobatec Modelling Examples Modelling Approaches Examples
Physical Topology
Dynamic Equations
Classes of Relations
Model Equations
Algebraic Equations
Examples
Species Topology
Dynamic Equations
Dynamic Equations
www.mobatec.nl
- System: capacitive element
- State of system: set of fundamental extensive
quantities
- Fundamental Extensive Quantity : system
property for which conservation and
superposition principles applies
- Conservation Principle:
Acc = In – Out + Prod - Cons
Our Approach ConclusionsMobatec Modelling Examples Modelling Approaches Examples
Physical Topology
Classes of Relations
Model Equations
Algebraic Equations
Examples
Species Topology
Equation Topology
28-Sep-14
31
Classes of Relations
Classes of Relations
www.mobatec.nl
Constitutive Equations
Transfer relations
Reaction rates
Property definitions
Balance volume relations
Equipment and control constraints
Our Approach ConclusionsMobatec Modelling Examples Modelling Approaches Examples
Physical Topology
Model Equations
Algebraic Equations
Examples
Species Topology
Equation Topology
Dynamic Equations
Model Equations
Model Equations
www.mobatec.nl
Physical Topology (Systems and Connections) + Species Topology
Constitutive Relations
Systemx y y = f(x)
Reactiony r r = h(y)
Dynamics
Connectionyor
ytar
z z = g(yor,ytar)
x = A z + B r._ __ _ _ _
Our Approach ConclusionsMobatec Modelling Examples Modelling Approaches Examples
Physical Topology
Algebraic Equations
Examples
Species Topology
Equation Topology
Dynamic Equations
Classes of Relations
_
28-Sep-14
32
Algebraic Equations
Algebraic Equations (2)
www.mobatec.nl
Dynamics x = A z + B r._ __ _ _ _
Integrator
Connections
Systems
Reactions
zx0 t=0
x y
r
x.
Our Approach ConclusionsMobatec Modelling Examples Modelling Approaches Examples
Physical Topology
Examples
Species Topology
Equation Topology
Dynamic Equations
Classes of Relations
Model Equations
_
in-flow
out-flow
f, CAi
f, CA, C
B
A B
Constant V
CSTR Example
Example Physical Topology
Example Equation Topology
Expanded Example
www.mobatec.nl
Simple Example Process
CSTR Example
HfHfdt
dH
rVffdt
dm
i
AAA
i
ˆˆ
AA
AiA
P
iPi
AA
ART
E
fCf
fCf
TcH
TcH
VCm
Cekr
i
ˆ
ˆ
0Example: Simple Tank
Examples ConclusionsMobatec Modelling Examples Modelling Approaches Our Approach
28-Sep-14
33
Simple Example Process
www.mobatec.nl
CSTR Example
Simple Example Process
Examples ConclusionsMobatec Modelling Examples Modelling Approaches Our Approach
Example Physical Topology
Example Equation Topology
Expanded Example
Example: Simple Tank
Example Physical Topology
www.mobatec.nl
Example Physical Topology
System s1 System s2
Assumptions?
HeatFlow h1
HeatFlow h2 HeatFlow h3
HeatFlow h4
Heat Source
Environment
Environment
Examples ConclusionsMobatec Modelling Examples Modelling Approaches Our Approach
CSTR Example
Example Equation Topology
Expanded Example
Example: Simple Tank
Simple Example Process
28-Sep-14
34
Example Equation Topology
www.mobatec.nl
Example Equation Topology
System s1 System s2
Qh1
Heat Source
Qh2 Qh3
HSh QQ 12
2
12
21222
111)(
h
h
sshhh
d
U
TTAUQ
)( 2333 ENVshhh TTAUQ
11,11
211
sspss
hhs
TcmH
QQdt
dH
22,22
322
sspss
hhs
TcmH
QQdt
dH
AutomaticallyGenerated by
Mobatec Modeller
Environment
Examples ConclusionsMobatec Modelling Examples Modelling Approaches Our Approach
CSTR Example
Expanded Example
Example: Simple Tank
Simple Example Process
Example Physical Topology
Expanded Example
www.mobatec.nl
Expanded Example
System s1 System s2
Qh1
Heat Source
Qh2 Qh3
EnvironmentSystem s3
Qh4
2
12
31222
21
11
)(
h
h
sshhh
d
U
TTAUQ
33,33
323
sspss
hhs
TcmH
QQdt
dH
3
23
23333
21
11
)(
h
h
sshhh
d
U
TTAUQ
Examples ConclusionsMobatec Modelling Examples Modelling Approaches Our Approach
CSTR Example
Example: Simple Tank
Simple Example Process
Example Physical Topology
Example Equation Topology
28-Sep-14
35
Expanded Example
www.mobatec.nl.......
3
61
1
2
1
1
dU
dU
Examples ConclusionsMobatec Modelling Examples Modelling Approaches Our Approach
Expanded Example
CSTR Example
Example: Simple Tank
Simple Example Process
Example Physical Topology
Example Equation Topology