Process Modeling and Control (PMC)

Lecture # 2: Model Building Framework

by:
Dr. Muhammad Zaman
Senior Engineer
Department of Chemical Engineering

Books:
CONTENTS
Modeling framework
The process system (SISO, MISO,MIMO)
The modelling goal
A systematic approach
The necessary ingredients
Conservation principles
Thermodynamic system principles
Balance volumes in process systems
Extensive and intensive variables
Principle of conservation
Conservation equations
Induced algebraic equations
Constitutive & conditional models
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THE PROCESS SYSTEM
d

u S y
x
Inputs, u y = S[u,d]
Outputs, y
(SISO, MIMO
States, x SS or dynamic)
Disturbances, d

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THE MODELING GOAL
Application areas
Flow sheeting Process control/analysis
simulation (rating) prediction/estimation

design regulation

optimization identification

faultdetection &
diagnosis
STEADY STATE VS DYNAMIC SIMULATIONS
GIVEN FIND
PROCESS SYSTEM A MATHEMATICAL MODEL
MODELING GOAL
VALIDATION CRITERIA 4
 A SYSTEMATIC MODELLING PROCEDURE
1 4 7 Model
Problem Model
definition construction calibration &
validation

2 5
Controlling Model
factors solution

3 6
Problem Model
data verification

Modeling is an iterative process, return and repeat earlier step 5

1. PROBLEM DEFINITION

Clear description of system

establish underlying assumptions
Statement of modeling intention
intended goal or use
acceptable error

anticipated inputs/outputs/disturbances

steady state vs dynamic

spatial distribution

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1. PROBLEM DEFINITION

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DEFINITION EXAMPLE (STEP 1)
Goal (intent)
f, CAi effect of inlet change

study dynamic behavior

in-flow

(control design)
+/-10% accuracy

CSTR description
f, CA, CB
out-flow process/system details

lumped ? - yes

dynamic? - yes

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A SYSTEMATIC MODELLING PROCEDURE
1 4 7 Model
Problem Model
calibration &
definition construction
validation

2 5
Controlling Model
factors solution

3 6
Problem Model
data verification

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2. CONTROLLING FACTORS / MECHANISMS

Physiochemical processes/phenomena
Chemical reaction

Mass transfer
convective, evaporative, ...
Heat transfer
radiative, conductive,
Momentum transfer
ASSUMPTIONS
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MECHANISMS - CSTR (STEP 2)

f, CAi Chemical reaction

in-flow
A B
Perfect mixing

No heat loss or
f, CA, CB supplied
(adiabatic)
out-flow

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A SYSTEMATIC MODELLING PROCEDURE
1 4 7 Model
Problem Model
calibration &
definition construction
validation

2 5
Controlling Model
factors solution

3 6
Problem Model
data verification

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3. DATA FOR THE PROBLEM

f, CAi Physico-chemical
in-flow
data
Reaction kinetics

Equipment
f, CA, CB parameters
out-flow

Plant (process)
data
GENERALLY WE WILL BE DEALING WITH GREY BOX MODELS

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DATA NEEDS: EXAMPLE - CSTR (STEP 3)

Reaction kinetics
data: k0 , E, DHR
f, CAi
in-flow

Physico-chemical
properties
specificheats,
enthalpies,
f, CA, CB
out-flow

Equipment
parameters: V

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A SYSTEMATIC MODELLING PROCEDURE
1 4 7 Model
Problem Model
calibration &
definition construction
validation

2 5
Controlling Model
factors solution

3 6
Problem Model
data verification

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MODEL CONSTRUCTION STEPS
M O D ELS

M A T H E M A T IC A L
M O D ELS

PRO CESS M O D ELS

Derive the model equations

Analyze model equations
Translate the model equations to a
solvable form; create library for use with a
simulator or for on-line solution
A computer aided system assists the user in performing
the above tasks
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4. MODEL CONSTRUCTION
Assumptions Constitutive equations
Boundaries and balance reaction rates GENERALLY
ALGEBRAIC
volumes transfer rates EQUATIONS
Conservation equations property relations
mass GENERALLY
balance volume relations
DIFFERENTIAL
energy EQUATIONS control relations &
momentum equipment constraints
Conditions
Equilibrium; control; defined
relations; initial conditions;
boundary conditions
Classification of Variables
Known (Defined by system (parameters); Defined by problem;
Independent )
Unknown (state, dependent) 17
CSTR MODEL (STEP 4)
Equations
Assumptions conservation
A1: perfect mixing dm A
f Ai f A rV mass
dt
A2: first order reaction
dH
fH i fH energy
A3: adiabatic operation dt

A4: equal inflow, outflow constitutive

E

A5: constant properties r k0e RT
C A Reaction rate
m A C AV Defined
H c T
relations for
i P i mass, enthalpy
H cPT and flow

Equations analysis: f A i fC Ai
8 equations: 2 ODEs; 6 AEs
f A fC A 18
CSTR MODEL (STEP 4)
Classification of variables (plus degree of
freedom analysis: DF=18 variables 8 equations =
10)
Known (parameters) R, k0 , E , DH R , c p 5
Known (defined) V , f , C Ai , Ti 4
Known (independent) t 1
Unknown M A , H , r , C A , T , H i , f Ai , f A 2+6
Two differential
equations need initial
Boundary Conditions C A (0) C Ai conditions for two
dependent variables
T (0) Ti 19
A SYSTEMATIC MODELLING PROCEDURE
1 4 7 Model
Problem Model
calibration &
definition construction
validation

2 5
Controlling Model
factors solution

3 6
Problem Model
data verification

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5. MODEL SOLUTION

Algebraic systems
Ordinary differential equations

Differential-algebraic equations

Partial differential equations

Integro-partial differential equations

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CSTR - NUMERICAL SOLUTION (STEP 5)

Solution of differential-algebraic equations

using structuring techniques
using direct DAE solution

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A SYSTEMATIC MODELLING PROCEDURE
1 4 7 Model
Problem Model
calibration &
definition construction
validation

2 5
Controlling Model
factors solution

3 6
Problem Model
data verification

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6. MODEL VERIFICATION
Process of confirming that the model is correctly implemented
Structured programming approach
Modular code

Testing of separate modules

Exercise all code logic

conditions

Constraints

Quality documentation

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A SYSTEMATIC MODELLING PROCEDURE
1 4 7 Model
Problem Model
calibration &
definition construction
validation

2 5
Controlling Model
factors solution

3 6
Problem Model
data verification

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7. MODEL CALIBRATION/VALIDATION

Generate plant data

Analyze plant data for quality

Parameter or structure estimation

Independent hypothesis testing for validation

Revise the model until suitable for purpose

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SYSTEMATIC COMPUTER AIDED MODELLING
SYSTEM

Problem
definition Human
System
characteristics
Problem
data
Model
construction
Model
solution
Model
Model verification
calibration &
Computer
validation

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MODELLING EXERCISE - 1
For the open & closed tank systems shown
below, develop the appropriate models

Open system Closed system

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