C2-Theoretical Modeling-EN

Process Control
Chapter 2: Theoretical Modeling

Contents
2.1 Introduction
2.2 Model‘s Basic Elements
2.3 Process Variables Identification
2.4 Mathematical Model
2.5 Degrees of Freedom Analysis
2.6 Linearization
2.7 Process Simulation
10/18/2017 Chapter 2: Theoretical Modeling HMS 2006-2016 2

2.1 Introduction
 A process model is a mathematical abstraction of a real
process.
 The model reflects the actual process with main features that
need to analyze

Model Categories
 Model categorizing:
– Graphical Model: Block Diagram, P&ID Diagram, Algorithm
Flowchart
– Mathematical Model: ODE, Transfer Function, State Space Model
– Computerized Model: Software,…
– Inferential Model: Knowledge, Principles
 In this chapter, we only consider how to modelling
Mathematical Models for Processes

Modeling purposes
1. Improve the understanding of the process
2. Training operators, engineers
3. Develop a suitable control strategy for the new process
4. Optimize process operating conditions
5. Simulation, verification

What is a good model?
 Model quality:
– Model accuracy and complexity
– The expected benefits from use of the model
– Model simplification
 “All models are not exact, but some are useful”
 The model should incorporate all of the important dynamic
behavior while being no more complex than is necessary.

Types of Mathematical Models
 Linear models/Non-linear models:
– Linear models: Linear differential equations, transfer function,
linear state space, transient response, frequency response…
– Non-linear models: Non-linear differential equations, state space
 SISO models/MIMO models:
– SISO models: consist of a input manipulated variable and an output
controlled variable, both are scalar.
– MIMO models: consist of many input manipulated variables and/or
many output variables. Variables can represent in vector form.

Types of Mathematical Models
 Time-Invariant/Time-Varying Model:
– Time-Invariant Model: the parameters do not change over time
– Time-Varying Model: has at least a parameter that changes over time
 Lumped/Distributed Parameter Model:
– Lumped Parameter Model: the output variables are functions of
time, not position; can be expressed by ODEs (Ordinary
Differential Equation)
– Distributed Parameter Model: the output variables are functions of
both time and position, can be expressed by PDEs (Partial
Differential Equation)
 Continuous model/Discrete model

Mathematical Models Categories
 Classification: based on how they are obtained
a) Theoretical Models are developed using the principles of
chemistry, physics, and biology
b) Practical Models are obtained by fitting experimental data (system
identification)
c) Combined Method are a combination of the models in categories
(a) and (b); the numerical values of one or more of the parameters
in a theoretical model are calculated from experimental data.

2.2 Model‘s Basic Elements
 Base on 3 basic quantities:
– Amount
– Potential
– Current
 We can define 4 basic elements:
– Resistance
– Capacitance
– Inductance
– Delay

Three Process’ Basic Quantities
Process Amount Potential Current
Electricity Electric charge Q Electric Voltage U Electric Current I
Liquid Volume V Pressure P Flow F
Gas Mass M Pressure P Flow W
Thermal Enthalpy H Temperature T Heat flow Q
Mechanical Length D Force f Velocity v

Four Process’ Basic Elements
Process Resistance Conductance Inductance Delay
U dQ dI D
Electricity R= C= U =L T=
I dU dt v
∆P dV A dF D
Liquid RL = C=
L = P = IL T
F dP ρ g dt v
∆P dM
Gas RG = CG =
W dP
∆T dH
Thermal RT = CΤ =
Q dT

2.3 Process Variables Identification
 Study process flowchart, specify the purpose of model, then
determine the level of details and the accuracy of the model.
 Divide to smaller sub processes, identify and name process
variables and parameters. List modelling assumptions to
simplify models
– Distinguish between process parameters and process variables
– Identify the controlled variables based on control objectives,
generally are: pressure, level, concentration,…
– Identify potential manipulated variables, usually are: flow, thermal
power (can be changed by control valves, by adjusting voltage,…
– Identify disturbances

Example: Liquid Storage Systems
 Assume that ρ0 has no significant change → ρ = ρ0 and be

regarded as a process parameter
 V is an output variable, F & F0 are input variables
 Analyze control objectives → the controlled variable is V
 F0 depends on the precede process → disturbance
 F must be the manipulated variable
Example: Stirred-tank Blending Process
Disturbances Disturbances
Manipulated Controlled Manipulated
Controlled
Variables Variables Variables
Variables
BLENDING BLENDING
PROCESS PROCESS

Example: Heat Exchanger
Steam
Steam
Process Fluid
Disturbances
Manipulated HEAT Controlled

Controlle d
Ma nipula te d
Variables
Va ria ble s EXCHANGE Variable
Va ria ble s
Uncontrolled
Uncontrolle d
Variables
Va ria ble s

Example: A Distillation Column
Gas
Coolant
Reflux
Feed
Gas
Gas
Top Product
Steam
Bottom Product
Control Objectives Analyzing
 Quality Assurance: maintain the top product composition
(xD) and the bottom one (xB) at a desired set point.
 Productive Assurance: Assure top product flow rate (D) và
the bottom one (B) at a desired set point
 Safety and stability operating ensuring: maintain the column’s
temperature and pressure, the liquid levels in the column
base and the reflux drum (MB) (MD) in allowed range.
 Based on specific problem requirements, we need to choose
appropriate controlled

Process Variables
 Controlled Variables
y = [ xD P]
T
xB MD MB
 Manipulated Variables
u =[ L V ] T
D B W
 Disturbance Variables
d =[ F ... ]
T
xF TF VF

9
2.4 Mathematical Modeling
 Write down equilibrium equations and constitutive
equations
– Equilibrium equations are expressed by differential or algebra
equations; they were build base on the Conservation of Mass,
Conservation of Energy and other conservation equations
– Constitutive equations concern the process disturbances and usually
are expressed by algebra equations
 Simplify model by substituting, simplifying and transform to
normal form of Differential Equations.
 Calculate model parameters

Conservation Laws
 Conservation of Mass
dM accumulation dM in dM out
= − =∑ ωini − ∑ ωout
i
s
dt dt dt
 At steady state
∑ in ∑ out =
ω i
− ω i
0
 Conservation of Component i
j j j
dM accumulation j
dM in j
dM out dM produced dM consumed
= − + −
dt dt dt dt dt

Example: Liquid Storage Systems
d ( ρV )
= ρ0 F0 − ρ F
dt
 Assumption:
ρ0= ρ= const
dV
= F0 − F
dt
 Conservation of Mass:
dV
ρ = ω1 + ω2 − ω
dt
 Conservation of Component :
d (Vx )
ρ =ω1 x1 + ω2 x2 − ω x
dt
dx dV
ρV + ρx =ω1 x1 + ω2 x2 − ω x
dt dt
dx
ρV = ω1 x1 + ω2 x2 − (ω1 + ω2 ) x
dt
 dh 1
= (ω1 + ω2 − ω )
dt ρ A

dx 1 1
= (ω1 x1 + ω2 x2 ) − (ω1 + ω2 ) x
 dt ρ Ah ρ Ah

Example: Continuous Stirred-Tank Reactor
purity  Assume that mass densities are

slightly different:
ρ0 = ρ
Impurity
 Conservation of All Component  Conservation of Component

dV d ( Vc A )
= F0 − F = F0 c A 0 − Fc A − Vkc A
dt dt
d ( Vc B )
=− Fc B − Vkc A
dt
Depend on 2 above equations
Conservation Laws
 The general law of energy conservation
 net rate of heat addition   net rate of work 

 rate of energy   rate of energy in   rate of energy out     
 =  -   +  to the system from  -  performed on the system 
 accumulation   by convection   by convection     by the surroundings 
 the surroundings   
 Assumption: Changes in potential energy and kinetic energy can be neglected

m n
dU I
dt
i i
∑
= ωin hin − ωout hout + q j j
∑
= i 1 =j 1
U I – System internal energy (J)
ωin – Mass flow rate in (kg/s or kg/minute)
ωout – Mass flow rate out (kg/s or kg/minute)
hin – enthalpy of the inlet stream (J/kg)
hout – enthalpy of the outlet stream (J/kg)
q – the rate of heat transfer to the system (J/s or J/minute)

Conservation Laws (Continued)
 Enthalpy is a measurement of energy in a thermodynamic system. It is the
thermodynamic quantity equivalent to the total heat content of a system. It is
equal to the internal energy of the system plus the product of pressure and
volume. The change of enthalpy associated with a particular chemical process
 Thermal energy conservation applied for liquid (simplified)
m n
dh
=∑ ωini hini − ∑ ωout
j j
hout +q
dt i 1 =j 1
=
∂h
Cp =
∂T P = const
h − href = C p ( T − Tref )
Example: Heat Exchanger
Steam
Process Fluid
 Thermal energy conservation at steady state

ωH ( hH 1 − hH 2 =) ωC ( hC 1 − hC 2 )
 Assume as specific heat capacity is constant
ωH C ρ H ( TH 1 − T=
H 2 ) ωC C ρC ( TC 1 − TC 2 )

Example: Heat Stirred-tank System
d ( ρVh )
= F0 ρ h0 − F ρ h
dt
dT F
= =
V const & F0 F = ( T0 − T )
dt V
Constitutive equations
 Heat transfer equations:
– Thermal conduction
– Convection
– Radiation
 Chemical Thermodynamics equations
 Phase equilibrium equations
 …

2.5 Degrees of Freedom Analysis
 The role of process model:
– Given: Model + Inputs + Initial states
– Requirements: Predict (Calculate) Output values
→ Solving the model equations in terms of the input variables
 Problem: Does the model equations have full description of
the relation between the process variables?
– If less: there are more process variables than equations, the model
equations have an infinite number of solutions
– If excess: there are fewer process variables than equations, the set of
equations has no solution

 Model degrees of freedom: the total number of process
variables subtracts the number of independent equations
– The numbers of free (unspecified) input variables in model, or
– The maximum number of single independent control loop that
can be used.
 The model is consistent: The degrees of freedome equals the
total number of input variables (included MVs and DVs)
 Example: Stirred-tank Blending Process :
– # process variables: 7 (h, w, w1, w2, x, x1, x2)
– # independent model equations: 2
– The degrees of freedom: 5 → the model is consistent

Model is inconsistent: Why?
 # Degrees of Freedom > # Input Variables:
– The model need more equations, e.g.: in the heat exchanger: lack of
a heat transfer equation
– The number of independent MVs is excess
 # Degrees of Freedom < # Input Variables:
– The model equations are not completely independent
– There is error in the model, there’s not enough variables to be able
to control the process

2.6 Linearization at a working point
 Why Linearization?
– All real processes is non-linear (more or less)
– Linear models is easy to use (satisfy the property of superposition)
– Almost control theories utilize linear model (e.g. transfer function)
 Why Linearization at a working point?
– The process is usually operated at a area around the working point
(Adjustment Problem!)
– Linearization at a working point help reduce model deviation
– Allow the use of difference variable, ensure the requirement of
Laplace Transform (initial value = 0).

Taylor theorem
=x f ( x , u ),=
x (0) x 0 x ∈ n , u ∈ m , f : n × m → n
y g( x , u ) y ∈  p , g : n × m →  p
Assume model has a steady-state ( x , u ) or =x f=

( x , u) 0
Thus:
x = x + ∆x
u = u + ∆u
We have:
∂f ∂f
x = ∆x = f ( x + ∆x , u + ∆u ) ≈ f ( x , u ) + ∆x + ∆u
 ∂x x , u ∂u x , u
0
∂g ∂g
y = y + ∆y = g( x + ∆x , u + ∆u ) ≈ g( x , u ) + ∆x + ∆u
 ∂x x , u ∂u x , u
y
Jacobian matrix:
∂f
=A , A ∈  n×n
∂x x , u
∂f
=B , B ∈  n×m
∂u x , u
∂g
=C , C ∈  p× n
∂x x , u
∂g
=D , D ∈  p× m
∂u x , u
Change symbols: ∆x → x , ∆u → u , ∆y → y
x =
Ax + Bu , x (0) =
x0 − x
=
y Cx + Du

Example: Heat Stirred-tank System
dT F
= f ( F ,T=
,T0 ) ( T0 − T )
dt V
At working point:
F
=0 f ( F ,T=
,T 0 ) ( T 0 −T )
V
dT  ∂f ∂f ∂f
= f ( F ,T ,T0 ) ≈ f ( F ,T ,T 0 ) +  ∆F + ∆T + ∆T0 
dt     ∂F ∂T ∂T0  F ,T ,T 0
0
T 0 −T F F
= ∆F − ∆T + ∆T0
V V V
dT d ∆T d ∆T F T 0 −T F
= + ∆=
T ∆F + ∆T0
dt dt dt V V V
We denote: y=
∆T , u =
∆F , d =
∆T0
V dy T 0 −T
= +y u+d
F dt F
Laplace transform for both side:
V T 0 −T
y ( s ) +=
s y( s ) u( s ) + d ( s )
F F
k 1
y( s )
= u( s ) + d( s )
τs +1 τs +1
Gp ( s ) Gd ( s )
V T 0 −T
τ =
= ,k
F F

 h = f = 1 (w + w − w)
 1 0 = w1 + w2 − w
ρA 1 2

 x = f 2 = 1 (w1 x1 + w2 x2 − (w1 + w2 ) x ) 0 = w1 x1 + w2 x2 − (w1 + w2 ) x
 ρ Ah
The first equation is linear, let’s rewrite in terms of difference variables:

1
∆h
= (∆w1 + ∆w2 − ∆w)
ρA
Apply Laplace transform for both sides:
1
s∆H=
( s) (∆W1 ( s ) + ∆W2 ( s ) − ∆W ( s ))
ρA
Denote kwh = ρ1A
kwh
∆H=
( s) ( −∆W ( s ) + ∆W1 ( s ) + ∆W2 ( s ) )
s
Apply the Taylor theorem for the second equations:
∆x = ( x − x ) = x
∂f ∂f ∂f ∂f ∂f ∂f
≈  2 ∆h + 2 ∆x + 2 ∆w1 + 2 ∆w2 + 2 ∆x1 + 2 ∆x2 
 ∂h ∂x ∂w1 ∂w1 ∂x1 ∂x2 *
1 1
=− (w
2 
x
1 1 + w x
2 − (w
21 + w2) x )∆h − (w

 +
1 w
 2 )∆x
ρ Ah 0
ρ Ah w
x1 − x x −x w w
+ ∆w1 + 2 ∆w2 + 1 ∆x1 + 2 ∆x2
ρ Ah ρ Ah ρ Ah ρ Ah
1
= (−w∆x + ( x1 − x )∆w1 + ( x2 − x )∆w2 + w1∆x1 + w2 ∆x2 )
ρ Ah
Apply the Laplace transform for both sides:
ρ Ahs∆X ( s ) =
−w ∆X ( s ) + ( x1 − x )∆W1 ( s ) + ( x2 − x )∆W2 ( s ) + w1∆X1 ( s ) + w2 ∆X 2 ( s )

Divide both sides by w and transpose
ρ Ah x1 − x x −x w w
( s + 1)∆X=
( s) ∆W1 ( s ) + 2 ∆W2 ( s ) + 1 ∆X1 ( s ) + 2 ∆X 2 ( s )
w w w w w
Denote parameters
ρ Ah x1 − x x2 − x w1 w2
=τ =
, kw1 x =, kw 2 x = , kx1 x = , kx 2 x
w w w w w
We have a familiar transfer function form:
kw1 x kw 2 x kx1 x kx 2 x
∆X ( s ) = ∆W1 ( s ) + ∆W2 ( s ) + ∆X ( s ) + ∆X ( s )
τ s +1 τ s +1 τ s +1 1 τ s +1 2
Denote again (vector):

 w2 
 h   w   
x , u   ,  
d  x1 , y  x
 x   w1   
 x2 
 
Transfer function can be write as:
=y( s ) G p ( s )u( s ) + G d ( s )d( s )
 − kwh kwh   kwh 0 0 

s s  s
=G p ( s ) = , Gd ( s)  
 0 k w1 x  k
 w 2 x k x1 x k x2x 
τ s +1  τ s +1 τ s +1 τ s +1 
From two linearization differential equations, we can have the state space model
1 0 0  1  −h h 
x = Ax + Bu +=
Ed A = 
ρ Ah  0 −w  , B  
ρ Ah  0 x1 − x 

y = Cx
1  h 0 0  1 0 
= E =  , C 0 1 
ρ Ah  2
x − x w 1 w2  
The relation between two models:
C( sI − A)−1 B, G d ( s ) =
G p ( s) = C( sI − A)−1 E

The diagram of the Transfer Function Model

 Example: Calculate with given values
=A 0.8m= 2
, ρ 1.25kg/litter
w2 = 200 kg/minute
=x =
0.4, x1 0.8,= x2 0.2
h = 1meter
From model equat ions at 0 = w1 + w2 − w


st eady-st at e: 0 = w1 x1 + w2 x2 − (w1 + w2 ) x
We det ermine t he ot her values w1 = 100 [kg/minute]

at st eady-st at e w = 300 [kg/minute]
Subst it ut e in T ransfer mat rix
 − 0.001 0.001   0.001 0 0 

 s s   s 
G p ( s ) = , G ( s)  0.000667 
0.000667  d 0.333 0.667
 0 −  − 
 3.333 s + 1   3.333 s + 1 3.333 s + 1 3.333 s + 1 

Linearization Procedure
1. If available, simplify model, if possible, break up to smaller
independent models.
2. Determine the steady state and the value of process variables to
obtain the steady-state model.
3. If linear, subtract steady-state equations and substitute
deviation variables..
4. If nonlinear, use Taylor series expansion to linearize.
5. Express model in deviation variable form.(use the vector symbol
if necessary) and simplify the model equation.
6. Re calculate all process parameter in terms of given values of
process variables at steady state.
7. Rearrange to obtain the desired form, e.g. Transfer Function or
State Space Model

2.7 Process Simulation
 Simulation is the method to recreate the behavior of a real
process base on the model to find out some concerned
behavior.
 Process Simulation serves many purposes:
– Mathematical model verifying
– Technical design verifying
– Process properties examining
– Control structure and algorithm designing
– Control software verifying
– Process behavior prediction.
– Basic and operator training

Non-linear Model simulation
dx
= f= ( x , u ), x (0) x 0
dt
t
Equation’s solution: ) x 0 + ∫ f ( x , u )dt
x (t=
0
t i +1
Discretization: x i +=
1 xi + ∫ f ( x , u )dt
ti
Euler method: x i +1 ≈ x i + (t i +1 − t i )f ( x i , u i )
Trapezoid method
1
x i +1 ≈ x i + (t i +1 − t i )[ f ( x i , u i ) + f ( x i +1 , u i +1 ) ]
2
(1)
 (1) depend on xi+ 1, but can be est imat ed using Euler Formula
(Runger-Kut t a for second degree equat ion)

Linear Model Simulation
dx
=
Ax + Bu , x (0) =
x0
dt
Discretization:
kT +T A( kT +T −τ )
+ T ) e AT x ( kT ) + ∫
x ( kT= e Bu(τ )dτ
kT
kT +T A( kT +T −τ )
= e AT x ( kT ) + ∫ e dτ Bu( kT )
kT
T At
= e AT x ( kT ) + ∫ e dtBu( kT )
0
= Φx ( kT ) + Γu( kT )
Φ =e AT
T
Γ =∫ e At dtB
0

Simulation utilizing MATLAB/SIMULINK
 Solve: Ordinary differential equation (ODE: ode23,
ode45...) and Partial Differential Equation (PDE) ⇒ Non-
linear system simulation.
 Control Toolbox ⇒ Linear system simulation
 Visual Simulation using block diagram in Simulink, allow to
combine a lot of elemental blocks and choose the suitable DE
solving method ⇒ Linear and Non-linear system simulation

Simulation (Non-linear Model)
 y1   h  1
=y = =k = 0.001[m/kg]
   ρA
 y2   x 
dy  k(w1 + w2 − w) 
f=
( y , w1 , w2 , w , x1 , x2 )  
dt  k(w1 x 2 + w2 x 2 − (w1 + w2 ) y2 ) / y1 
1. Express derivatives:
function dydt = f(t,y,k,w1,w2,w,x1,x2)

dydt = [k*(w1+w2-w)
k*(w1*x1+w2*x2-w1*y(2)-w2*y(2))/y(1)];
2. Set initial state (steady-state):

w1=100; w2=200; w =300;
x1=0.8; x2=0.2; k =0.001;

3. Solve EDs set
tspan = [0:0.1:20];
y0 = [1; 0.4];
[t y] = ode45(@f,tspan,y0,[],k,1.1*w1,w2,w,x1,x2);
%[t y] = ode45(@f,tspan,y0,[],k,w1,1.1*w2,w,x1,x2);
%...
4. Plot the simulation result graphs
plot(t,y(:,1));
title('Step change in 10% feed rate \itw_1');
xlabel('Time (min)');
ylabel('Level h (m)');
grid on
figure(2);
plot(t,y(:,2));
title('Step change in 10% feed rate \itw_1');
ylabel('Composition x');
grid on

Simulation (Linear Model)
% Simulation of the blending process with
linearized model
w1 = 100;
w2 = 200;
w = 300;
x1 = 0.8;
x2 = 0.2;
x = 0.4;
k = 0.001;
T = 1/(k*w);
Gw1h = tf(k,[1 0]);
Gw1x = tf((x1-x)/w,[T 1]);
t = [0:0.1:20];
y0 = [1; 0.4];
y = step([Gw1h Gw1x],t)*w1*0.1;

Plot the simulation result graphs
figure(1);
plot(t,y(:,1)+y0(1));
title('Step change in 10% feed rate w_1');
ylabel('Level h (m)');
grid
figure(2);
plot(t,y(:,2)+y0(2));
title('Step change in 10% feed rate w_1');
ylabel('Composition x');
grid

Summary
 Master the benefit and purpose of model in Process
Development Procedure
 Master the procedure of Mathematical Model Construction
and the purpose of each step
– Analyze problem, identify process variables (to do what?, based on
what?)
– Build model equation (Equation types? Basic?)
– Analyze the degrees of Freedom (Purpose? Detail Benefits)
– Linearization at a working point (Purpose? How? Result?)
– Simulation Principles (non-linear/linear), know how to utilize
MATLAB in process simulating

Self Study
 Book: Hoàng Minh Sơn: “Cơ sở hệ thống điều khiển quá
trình”. NXB Bách khoa Hà Nội, 2006-2010
– Chapter 2: Overview and categories of general mathematical model
in control.
– Chapter 3: Modelling examples.
 Questions/Exercises:
– Question at the end of Chapter 3
– Use MATLAB, re-run Stirred-tank Blending Process Simulation
– Practice simulate Heat Stirred-tank Process (non-linear and linear)
utilizing MATLAB with any suitable parameter.

C2-Theoretical Modeling-EN

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C2-Theoretical Modeling-EN

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Process Control

Chapter 2: Theoretical Modeling

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Process Amount Potential Current

Electricity Electric charge Q Electric Voltage U Electric Current I

Liquid Volume V Pressure P Flow F

Gas Mass M Pressure P Flow W

Thermal Enthalpy H Temperature T Heat flow Q

Mechanical Length D Force f Velocity v

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 Assume that ρ0 has no significant change → ρ = ρ0 and be

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Manipulated HEAT Controlled

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purity  Assume that mass densities are

 Conservation of All Component  Conservation of Component

 net rate of heat addition   net rate of work 

 Assumption: Changes in potential energy and kinetic energy can be neglected

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 Thermal energy conservation at steady state

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Assume model has a steady-state ( x , u ) or =x f=

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The first equation is linear, let’s rewrite in terms of difference variables:

Apply the Laplace transform for both sides:

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Denote again (vector):

 − kwh kwh   kwh 0 0 

The relation between two models:

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From model equat ions at 0 = w1 + w2 − w

We det ermine t he ot her values w1 = 100 [kg/minute]

 − 0.001 0.001   0.001 0 0 

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function dydt = f(t,y,k,w1,w2,w,x1,x2)

2. Set initial state (steady-state):