PROCESS CONTROL 3

EHPBH3B/EHPCO2A
Presented by:

John Kabuba Tshilenge

Lecturer 5

January 2019
Learning Unit 4: Modelling the Dynamic and
Static Behavior of Chemical Processes
I. Development of a Mathematical Model
• Modeling a chemical process is a very synthetic activity, requiring the use
of all the basic principles of chemical engineering science, such as
thermodynamics, kinetics, transport phenomena, etc.
• For the design of controller for chemical processes, modelling is a very
critical step.
• It should be approached with care and thoughtfulness.
• The purpose is:
1. To explain why we need to develop a mathematical description
(model) of a chemical process as a prerequisite to the design of
its controller.
2. To describe a methodology for the modeling of a chemical
process using the balance equations and provide examples of
its implementation.
3. To determine the scope and the difficulties of the mathematical
modeling for process control purposes.
• To investigate how the behavior of a chemical process
changes with time under the influence of changes in
the external disturbances and manipulated variables
and consequently design an appropriate controller, we
can use two different approaches:
1. Experimental approach: physical equipment
available. Values of various input variables are
changed deliberately and changes in the
outputs are measured and observed over time.
Expensive.
2. Theoretical approach: A set of mathematical
equations describing the dynamic and static
behavior of the chemical process is designed
and variables changed to see their influence.
 I. 2 Why Do We Need Mathematical
Modelling for Process Control?
• We noted that often the physical equipment of the
chemical process we want to control have not been
constructed.
• Consequently, we cannot experiment to determine how
the process reacts to various inputs and therefore we
cannot design the appropriate control system.
• But even if the process equipment is available for
experimentation, the procedure is usually very costly.
• Therefore, we need a simple description of how the
process reacts to various inputs, and this is what the
mathematical models can provide to the control
designer.
 I. 3 State Variables and State Equations
for a Chemical Process
• Equations that relate the state variables (dependent variables) to the
various independent variables are derived from the principle of
conservation of the fundamental quantities - (state equations).

• S ≡ Total mass, Mass of individual components, Total energy

Momentum
 I. 4 Additional Elements of the
Mathematical Models
• In addition to the balance equations, we need other relationships
to express thermodynamic equilibria, reaction rates, transport
rates for heat, mass, momentum, and so on.
• Such additional relationships need to complete the mathematical
modeling of various chemical and/or physical processes can be
classified as follows:
➢ Transport rate equations - describes the rate of mass,
energy and momentum transfer between a system and its
surroundings.
➢ Reaction and phase equilibria relationships - describes the
equilibrium situations reached during a chemical reaction or
by two or more phases
➢ Equations of state - describes the relationship between
intensive variables describing the thermodynamic state of
the system.
I. 5 Dead Time

• Whenever an input variable of a system

changes, there is a time interval during which
no effects are observed on the output of the
system.
• This time interval is called: dead time,
transportation lag, pure delay, distance-velocity
lag
 I. 6 Additional Examples of Mathematical
Modelling
Continuous Stirred Tank Reactor (CSTR)

Fundamental dependent quantities

1. Total mass of reaction mixture in tank

2. Mass of chemical A in the reaction mixture
3. Total energy of the reaction mixture in the tank

NB! Bcomponent : ƒ(total mass ; mass A) - NOT INDEPENDENT

Momentum neglected
Total mass balance :
Total mass balance

acc of mass flow massIN flow massOUT NB!

= −
time time time
d ( V ) Conservation principle (nothing added to or leaving
= F1 − F  0
dt the system)
dV   (cA , cB , T) – often the relationship is weak
= Fi − F stateequation
dt and density is assumed constant
0 = Fi s − Fs steady state
 Mass balance on component A
Balance component A :
−E
r = k0 e RT
cA
d (n A ) d (c AV ) kinetic rate equation
= = c A1 F1 − c A F  rV + Component balance for products
dt dt
d (c AV ) −E – Component balance for reagents
= c A1 F1 − c A F − k0 e RT c AV
dt
d (c A ) d (V ) −E
dV
V + cA = c A1 F1 − c A F − k0 e RT c AV = F1 − F
dt dt dt , from mass balance
d (c A ) −E
V + c A ( F1 − F ) = c A1 F1 − c A F − k0e RT c AV
dt
d (c A ) −E
V = F1 (c A1 − c A ) − k0 e RT c AV
dt
d (c A ) F1 −E
= (c A1 − c A ) − k0 e RT c A state equations
dt V
F1,s −E
0= (c A1,s − c A,s ) − k0 e RT c A,s steady state
V
 Total Energy Balance
𝐴𝑐𝑐. 𝑜𝑓 𝐼𝑛𝑝𝑢𝑡 𝑜𝑓 𝑡𝑜𝑡𝑎𝑙 𝑂𝑢𝑡𝑝𝑢𝑡 𝑜𝑓 𝑡𝑜𝑡𝑎𝑙 𝐸𝑛𝑒𝑟𝑔𝑦
𝑡𝑜𝑡𝑎𝑙 𝑒𝑛𝑒𝑟𝑔𝑦 𝑒𝑛𝑒𝑟𝑔𝑦 𝑤𝑖𝑡ℎ 𝑓𝑒𝑒𝑑 𝑒𝑛𝑒𝑟𝑔𝑦 𝑤𝑖𝑡ℎ 𝑜𝑢𝑡𝑙𝑒𝑡 𝑟𝑒𝑚𝑜𝑣𝑒𝑑 𝑏𝑦 𝑐𝑜𝑜𝑙𝑎𝑛𝑡
= − −
𝑡𝑖𝑚𝑒 𝑡𝑖𝑚𝑒 𝑡𝑖𝑚𝑒 𝑡𝑖𝑚𝑒

In the balance above we have neglected the shaft work done by the impeller of
the stirring mechanism.
The total energy of the reacting mixture is:
E=U+K+P

𝑑𝐸 𝑑(𝑈 + 𝐾 + 𝑃 ሻ 𝑑𝑈
= =
𝑑𝑡 𝑑𝑡 𝑑𝑡
Since the system is a liquid system, we can make the following approximation:

𝐴𝑐𝑐. 𝑜𝑓 𝐴𝑐𝑐. 𝑜𝑓
𝑡𝑜𝑡𝑎𝑙 𝑒𝑛𝑒𝑟𝑔𝑦 𝑜𝑓 𝑑𝑈 𝑑𝐻 𝑡𝑜𝑡𝑎𝑙 𝑒𝑛𝑡ℎ𝑎𝑙𝑝𝑦 𝑜𝑓
= ≅ =
𝑡ℎ𝑒 𝑚𝑎𝑡𝑒𝑟𝑖𝑎𝑙 𝑖𝑛 𝑡ℎ𝑒 𝐶𝑆𝑇𝑅 𝑑𝑡 𝑑𝑡 𝑡ℎ𝑒 𝑚𝑎𝑡𝑒𝑟𝑖𝑎𝑙 𝑖𝑛 𝑡ℎ𝑒 𝐶𝑆𝑇𝑅
𝑝𝑒𝑟 𝑢𝑛𝑖𝑡 𝑡𝑖𝑚𝑒 𝑝𝑒𝑟 𝑢𝑛𝑖𝑡 𝑡𝑖𝑚𝑒
Furthermore,
• Input of total energy with feed per unit time = ρiFihi (Ti)
and
• Output of total energy with the outlet stream
per unit time = ρFh (T)
𝑑𝐻
• Total energy balance: = 𝜌𝑖 𝐹𝑖 ℎ𝑖 𝑇𝑖 − 𝜌𝐹ℎ 𝑇 − 𝑄
𝑑𝑡
• Theses Equations are not in their final and most convenient form
for process control design studies.
• To bring them to such form we need to identify the appropriate
state variables.
Characterize Total Mass
𝑑(𝜌𝑉ሻ 𝑑𝑉
=𝜌 while ρi = ρi
𝑑𝑡 𝑑𝑡

𝑑𝑉
= 𝐹𝑖 = 𝐹
𝑑𝑡
Characterize the Mass of Component A

𝑑(𝐶𝐴 ሻ 𝑑𝑉 𝑑𝐶𝐴
= 𝐶𝐴 +𝑉 = 𝐶𝐴𝑖 𝐹𝑖 − 𝐶𝐴 𝐹 − 𝑘𝑜 𝑒 −𝐸/𝑅𝑇 𝐶𝐴 𝑉
𝑑𝑡 𝑑𝑡 𝑑𝑡

𝑑(𝐶𝐴 ሻ 𝐹𝑖
= (𝐶𝐴𝑖 − 𝐶𝐴 ሻ − 𝑘𝑜 𝑒 −𝐸/𝑅𝑇 𝐶𝐴
𝑑𝑡 𝑉

Characterize the Total Energy

H = H(T, nA, nB)

Where nA and nB are the moles of A and B in the CSTR
I. 7 Modeling Difficulties
We can classify the difficulties encountered during the mathematical
modeling of a process in three categories:
1. Those arising from poorly understood chemical or physical
phenomena.
2. Those caused from inaccurate values of various
parameters
3. Those caused from the size and the complexity of the
resulting model.
Poorly understood processes
• To understand completely the physical and chemical phenomena
occurring in a chemical process is virtually impossible.
• Even an acceptable degree of knowledge is at times very difficult.
 II. Modeling Consideration for Control
Purposes
II.1 The Input- Output Model
A mathematical model that is convenient and useful to a control system designer
should conform with the picture, (i.e., be such that, given the values of the inputs,
it provides directly the values of the outputs).
Output = ƒ (input variables)
Such a model, describing directly the relationship between the input and output
Variables of a process, it called an input-output model.
It is a very convenient form since it represents directly the cause-and-effect
relationship in processing systems
II. 2 Degrees of Freedom
• The degrees of freedom of a processing system are the
independent variables that must be specified in order to define the
process completely.
• Consequently, the desired control of a process will be achieved
when and only when all the degrees of freedom have been
specified.
• A good understanding of how many degrees of freedom are
inherent in a process, and which they are, is very crucial for the
design of effective controllers.
• For a specified system, its mathematical model is the basis for
finding the degrees of freedom under both dynamic and static
conditions.
• The number of degrees of freedom: ƒ = V – E
If ƒ = 0, the process is exactly specified
If ƒ ˃ 0, the process is underspecified
If ƒ ˂ 0, the process is overspecified
II. 3 Formulating the Scope of Modeling for
Process Control
Before attempting to model a process, we must
pose the following questions and try to
understand well their implications:
1. What are the control objectives that we must
satisfy?
2. What are the expected disturbances and their
impact?
3. What are the dominant physical and chemical
phenomena taking place in the process to be
controlled?
A clear understanding of these questions and their
answers will help greatly to define and simplify:
1. The system that we will attempt to model
2. The mass, energy, and momentum balances that
we should develop
3. The additional equations that will be needed to
complete the mathematical model of the process.
They will also help to identify:
1. The state variables
2. The input variables and
3. The output variables
MODELLING OF A DISTILLATION COLUMN

Total
Condenser

VN

Reflux M
mD
Reflux drum
N Top stage R Top prod./distillate
xD (liq.)
D
(A + B) xD
F
Z
Feed stage

Bottom stage
1st stage VB

mB

Reboiler
Bottom prod. (liq.)
B
Assumptions

1. Feed – Saturated liquid (Boiling point temperature)

2. Column – Perfectly insulated (no heat loss)
3. Trays – Ideal (100% efficient)
4. Vapor holdup on each tray is neglected
5. The molar heats of vaporization of A and B are approximately equal
6. 20 trays (excluding total condenser and reboiler), Feed stage 10 th
stage
7. Perfect mixing
8. Relative volatibility of A and B remains constant.
9. Liquid holdup varies from tray to tray.
Assumptions (2), (4) and (5)
V1 = V2 = …. = VN = VB
V20
Reflux drum I
Total mass balance
d(mD)/dt = V20 –D-R

mD
Comp. mass balance
d(mD.xD)/dt= V20y20 – D.xD - R.xD R D
xD xD

Note: Vapour composition: y

Liquid composition: x

mDd(xD)/dt + xDd(mD)/dt = V20y20 – D.xD – R.xD

mDd(xD)/dt = V20(y20 –xD)

d(xD)/dt = V20
dd/mD(y20 – xD)
 Top stage (20th stage)

II V20 R Total: d(m20)/dt = R + V19 – L20 – V20

V1 = V2 = .... = V20
N=20

d(m20)/dtd = R – L20
V19 L20
Comp. mass bal.

d(m20. x20)/dt = R. xD + V19. y19 – L20. x20 – V20. y20

m20. d(x20)/dt + x20. d(m20)/dt = R. xD + V19. y19 – L20. x20 – V20. y20

m20. d(x20)/dt + x20 (R – L20) = R. xD + V19 . y19 – L20 .x20 – V20. y20

V19 = V20 = VB

d(x20)/dt = 1/m20 [R(xD – x20) + VB(y19 – y20)]

 nth stage (19th to 11th and 9th to 2nd stage)
Ln+1 Vn

III Total: d(mn)/dt = Ln+1 + Vn-1 – Ln - Vn

mn nth stage
d(mn) =d Ln+1 - Ln

Ln Vn-1 Component

d(mn. xn)/dt = Ln+1. xn+1 + Vn-1. yn-1 – Lnxn - Vnyn

Feed Stage
L11 V10 Total
IV
d(m10)/dt = (L11 +dF + V9) – L10 – V10
F
10th Component

d(m10 . X10)/dt = L11 x11 + Fz+ V9y9 – L10 x10 – V10y10

L10 V9
1st Stage

V Total

d(m1)/dt = L2 + VB – L1 – V1

L2 V1
Component

d(m1.x1)/dt = L2.x2 + VB.yB – L1.x1 – V1.y1

VB
L1
 Total

d(mB)/dt = L1 – B - VB

Component

1st Stage
VI d(mB.xB)/dt = L1.x1 – VB.yB – B.xB

VB
m
mBB
B