Determine which of the 5 valves should be fail-close(F/C) or fail-

open (F/O) for safe operation of the distillation column (achieved by

the lowest temperature and pressure in the column)

(FB)sp
Fresh A
LS R/F
Feed ×
Fresh B
Feed
5
LC
PC F/O
TC 4
PT
LC F/O
Steam 1 ×
TT TC
L/F
TT LC

F/C 2 Steam
F/C
3
C Product
F/O
 Control Systems
• Feedback control
– The process variable of interest is measured and
used to adjust another process variable
• Feedforward control
– Measure disturbances and take corrective action
before they upset the process
 Schematic of Feedback Loop General diagram
All control system contains: the
controller, the actuator, the
process, and the sensor .

Error Manipulated
variable

Controlled
variable Disturbance

Setpoint e c u
+ Controller Actuator Process
-
Controlled
Variable

Sensor
 Chemical Process Control

ChE 462
Week 2

Theoretical Models of Chemical Processes

Yinjie Tang
Office: Cupples II, Room 201
E-mail: yinjie.tang@seas.wustl.edu
http://users.seas.wustl.edu/tang/
 Classification of Models
• Lumped parameter models
– Assume that the dependent variable does not change with spatial location
within the process, e.g., a perfectly well mixed vessel.
– Macroscopic balances are typically applied for conservation of mass,
moles, or energy
– Result in ODE’s.

• Distributed parameter models

– Consider that the dependent variable changes with spatial location within
the process.
– Microscopic balances are typically applied yielding differential equations
for conservation of mass, moles, or energy for a single point in the process
– Result in PDE’s.
 Example of a Lumped Parameter Process

Well mixed batch

(F1)spec
FC

FT
F1 F2

T1 T2

TT

ODE dT
k1t 2 k2t
dt
 Example of a Distributed Parameter Process
Heat exchanger
2
PDE T T
C k 2t
t X2
PC Steam

T outlet TT PT

Feed
Condensate
 Solve ODE and PDE
1. Exact (closed-form) solutions
Laplace Transform or
http://eqworld.ipmnet.ru/

2. Numerical method.
 2. Numerical method.
• The ODEs that represent the dynamic behavior of control
systems are not usually very stiff.
– Euler integrator or Runge-Kutta is usually the most effective integrator to
use (via MATLAB).
• Accuracy and stability are key issues. Reducing integration step
size improves accuracy and stability of explicit integrators

Example: solve dx SX
0.2 Initial Condition
dt 1 S

dP SX X(0)=0.05
0.04
dt 1 S
dS SX
S(0)=10
dS 0.8 SX
dt 0.8 1 S
dt 1 S P(0)=0
 Euler integrator

y3 y4
y2
y1

y0 a

http://en.wikipedia.org/wiki/File:Euler_method.png
 Solve ODEs using Excel

X(0)=0.05; S(0)=10; P(0)=0

dx SX
0.2
dt 1 S

dP SX
0.04
dt 1 S
dS
dS SX
SX
dt 00..88 1 S
dt 1 S
Excel file will be provided online
Other consideration of dynamic modeling for process
control: the dynamics of the actuator, the sensor and
sensor noise, the transmitter.
– For example, all feedback control loops have a controller,
an actuator, a process, and a sensor where the controller
chooses control action based upon the error from set-point.
– The process responds dynamically to the change in the
manipulated variable; Control systems affect the process
through the actuator system which has its own dynamics;
The response of the process is measured by sensor system
which has its own dynamics.
Disturbance

Setpoint e c u
+ Controller Actuator Process
-
Controlled
Variable

Sensor
 There are many control systems for which the dynamics of
the actuator and sensor systems are important.
c u y ys
Actuator Process Sensor

Dynamic Model for

Actuators
dQ 1
Qspec Q
dt H
These equations assume that the actuator
behaves as a first order process.

Consider a steam heater as an example:

1. An increase in the flow rate of steam to the heater.
2. The temperature of the metal tubes in the heater increases in a lagged manner.
Actuator Dynamics: What is he going to do?

www.artblogbybob.blogspot.com/2007_07_01_archive.html
 Dynamic Model for Sensors

• Ts and Ls equations assume dTs 1

T Ts
that the sensors behave as a dt Ts

first order process. dLs 1

L Ls
• Cs assumes that the analyzer dt Ls
behaves as a deadtime
element. Cs (t ) C (t A )

Note: Model should also consider if there is Sensor Noise.

Sensor noise is the variation in a measurement of a process variable
that does not reflect real changes in the process variable.
(caused by electrical interference, mechanical vibrations… )
 Transmitter and Transmitter Error
Transmitter: converts the sensor output to a signal appropriate
for input to a controller (Chapter 9.1.3)

Input Output
50 oC 4 mA
T=60 oC ? 5.6 mA
150 oC 20 mA

Any linear instrument:

20mA 4mA o
mA
Tm o o
(T 50 C ) 4mA
150 C 50 C
mA T
(0.16 o )T ( o C ) 4mA
C
Km (the gain).
Control Model Examples
(Chapter 1 & 2)

1. Blending systems
2. Model for a Series Reaction
3. Stirred Tank
4. Bioreactor
 Example 1: A Blending Process
X2,
Mixture of A and B W2
X1 and W1

Product
V, ρ X, W

???: X=Xsp

Overall balance:
d (V )
w1 w2 w
dt
Component A balance:
d ( xV )
w1 x1 w2 x2 wx
dt
 Model Equations
X2, W2
Mixture of A and B
X1 and W1

Product
X, W

???: X=Xsp

Overall balance: W=W1+W2

Steady state
Component A balance: WX=W1X1 +W2X2
 Feed forward control Model
AC
Method 1
X2=1
AT W2
Mixture of A and B
X1 and W1

X1
Product
X, W

???: X=Xsp
t

X SP X 1 (t )
W2 (t ) W1
1 X SP
 A simple feedback control algorithm (proportional control)
Method 2
Mixture of A and B AC
X1 and W1
X2
W2

X1 AT
Product
X, W

???: X=Xsp
t

W2 (t ) W2 Kc[ X SP X (t )]
 Unsteady State Blending Process
Considering the density of the liquid, ρ, is a constant
Overall balance: 0≠W1+W2-W

Component A balance: 0≠W1X1 +W2X2-WX

dV
w1 w2 w
dt
d (Vx)
w1 x1 w2 x2 wx
dt

How to simplify???
Equation below can be simplified by expanding the accumulation
term using the “chain rule” for differentiation of a product:

d Vx dx dV
V x (2-14)
dt dt dt

Substitution of (2-14) into d (Vx)

w1 x1 w2 x2 wx
dt
gives: dx dV
V x w1x1 w2 x2 wx (2-15)
dt dt

dV 1
Since ( w1 w2 w) we get the dynamic model
dt
dx w1 w2 (2-18)
( x1 x) ( x2 x)
dt V V
 Degree of freedom
NF=NV-NE
NF: Degree of freedom
NV: Number of Process Variables (time is not process variable)
NE: Number of Independent Equation
NFC: the control degree of freedom (independent material/energy streams), e.g.,
Temp, Flow, Comp…

NF=0 : exactly specified; has a solution

NF>0 : under-specified; many solutions
NF<0 : over-specified; no solution
 Considering the density of the liquid, ρ, is a constant

For example: freedom = ?

dV 1
( w1 w2 w)
dt
dx w1 w2
( x1 x) ( x2 x)
dt V V

Controlled variable: V , x, w
Parameter: ρ Disturbance variable: x1, w1,
Eq=2 Manipulated variables: x2, w2
Variable: V, x, x1, x2, w, w1, w2
NF = 5
 Calculation (Example 2.1)
A constant liquid holdup: V=2 m3 , ρ = 900kg/ m3

a) Steady state value of x b) W1 change to 400kg/min suddenly

Expression of x(t)

Mixture of A and B Pure A

X1 =0.4 W1 =500 kg/min X2=0.75
W2 =200 kg/min

d (V ) AT
w1 w2 w Product
dt X, W
d ( xV )
w1 x1 w2 x2 wx
dt
 Steady state: 0 w1 w2 w
Solve: x(0)=0.5
0 w1 x1 w2 x2 wx

W1 change to 400kg/min suddenly, V is constant

0 w1 w2 w
Initial condition: x(0)=0.5
dx
V w1 x1 w2 x2 wx
dt

Plug w1, x1, w2, x2, w into the equation above.

dx Solve with x(0)=0.5, we get

3 x 0.517
dt
X(t)=0.517-0.017exp (-t/3)
 Example Plot
600

500 W1
400

300
W

200

100

0
0 5 10 15 20 25 30 35

T
0.52

0.516
X
0.512

0.508

0.504

0.5

0.496
0 5 10 15 20 25 30 35

X(t)=0.517-0.017exp (-t/3)
 Example 2: Model for Product Composition for
CSTR with a Series Reaction
r1 r2
F: mass/time A B C
CAO , F, ρ, Vr r1 k1 CA2 r2 k 2 CB
FC

FT Component A:
Feed dCA F
Vr CA 0 CA Vr k1CA2
CA, CB, CC dt
Product
Component B:
AT
dCB FCB
Vr Vr k1CA2 Vr k 2CB
dt

Equations for Component Component C:

Compositions. dCc FCc
Vr Vr K 2C B
Vr is constant. dt
Example 3: Stirred tank heater

Chapter 2: 2-3
 Stirred-Tank Heating Process

Assumptions:

1. Perfect mixing; thus, the exit

temperature T is also the temperature
of the tank contents.
2. The liquid holdup V is constant
because the inlet and outlet flow rates
are equal. Figure 2.3
3. The density ρ and heat capacity C of
the liquid are assumed to be constant.
Thus, their temperature dependence is
neglected.
4. Heat losses are negligible.
 Model Development - I
For a pure liquid at low or moderate pressures, the internal energy
is approximately equal to the enthalpy, Uint ≈ H , and H depends
only on temperature. Consequently, in the subsequent
development,
^ ^
we assume that Uint = H and Uint = H where the caret (^) means
per unit mass. As shown in Appendix B, a differential change in
temperature, dT, produces a corresponding change in the internal
energy per unit mass,
^ ^
d U int dH CdT (2-29)

where C is the constant pressure heat capacity (assumed to be

constant). The total internal energy of the liquid in the tank is:

U int VUˆ int (2-30)

 Model Development - II
An expression for the rate of internal energy accumulation can be
derived from Eqs. (2-29) and (2-30):
dU int dT
VC (2-31)
dt dt
Note that this term appears in the general energy balance

Suppose that the liquid in the tank is at a temperature T and has an

enthalpy, Ĥ. Integrating Eq. 2-29 from a reference temperature
Tref to T gives, ^ ^
H H ref C (T T ) (2-32)
ref

where Hˆ ref is the value of Ĥ at Tref. Without loss of generality, we

assume that Hˆ ref 0 (see Appendix B). Thus, (2-32) can be
written as:
Hˆ C T Tref (2-33)
 Model Development - III
For the inlet stream
Hˆ i C Ti Tref (2-34)

Substituting (2-33) and (2-34) into the convection term of (2-10)

gives: dU int ^
(w H ) Q (2-10)
dt

wHˆ w C Ti Tref w C T Tref (2-35)

Finally, substitution of (2-31) and (2-35) into (2-10)

dT
V C wC Ti T Q (2-36)
dt
 Degrees of Freedom Analysis for the Constant
Volume Stirred-Tank Model
parameters: V , ,C
dT variables: T , Ti , w, Q
V C wC Ti T Q (2-36)
dt equation: Eq. 2-36
The process variables are classified as:

disturbance variables: Ti, w

manipulated variable: Q
controlled variable: T

Thus the degrees of freedom are NF = 4 – 1 = 3.

 Example 4: Bioreactor Control
Biological reactions that involve micro-organisms and enzyme
catalysts are pervasive and play a crucial role in the natural world.
• Bioreactions also provide the basis for production of a wide variety of
pharmaceuticals and healthcare and food products.
• Important industrial processes that involve bioreactions include fermentation
and wastewater treatment.
• Chemical engineers are heavily involved with biochemical and biomedical
processes.

Chemicals
 Biosynthesis of high-value products

Carotenoids
Lycopene
C-40 Tetraterpene

Isoprene unit Isopentenyl diphosphate (IPP)

Isoprenoids: family of natural products (>

50000); include many important drugs, Taxol
valuable flavor, pigments… C-20 Diterpene
Bioreaction yields
Control Factors
pH level
Temperature
Dilution rate: flow rate of nutrient
supplied to the reactor divided by the
volume of the culture (unit: time-1)
Oxygen transfer rate
Agitation speed
 Three modes of
bioreactor
operation

1. Batch: A bioreactor is filled with fresh medium and then inoculated. At the end of
the fermentation, the contents are removed for down stream processing. The reactor is
then cleaned, sterilized and refilled for the next fermentation. (2nd most used)

2. Fed-batch: Fresh media is added to the bioreactor without continuous removal.

When the reactor volume is full, the fermenter is emptied. Fed batch bioreactors are
most commonly used to produce biological products.
3. Continuous: Fresh media is continuously added into the bioreactor and at the same
time bioreactor fluid is continuously removed.
The cells continuously propagate on the fresh medium entering the reactor and at
same time, products, metabolic waste products, and cells are removed in the effluent.
•Advantage: shut down less frequently than batch systems.
•Disadvantage: rarely used for large scale fermentation (contamination); widely used in
waste treatment processes.
Model of Fed-Batch Bioreactor

Growth Rate
rg X (2-93)

Monod Equation
S
max (2-94)
Ks S

is Specific growth rate

Fed-batch reactor for a
bioreaction.
 Monod Equation

0 order
Reaction rate

1/2 umax

S
max (2-94)
Ks S

Ks

1st order Substrate Concentration

Modeling Assumptions
1. The fed-batch reactor is perfectly mixed.
2. Isothermal reactor operation can be assumed.
3. The liquid density is constant.
4. The broth in the bioreactor can be approximated as a homogenous
liquid.
5. The rate of product formation per unit volume rp can be expressed as
rp YP / X rg (2-95)

where the product yield coefficient YP/X is defined as:

mass of product formed
YP / X (2-96)
mass of new cells formed

• General Form of Each Balance

Rate of accumulation rate in rate of formation (2-97)
Model of Fed-Batch
• Individual Component Balances for Fed Batch

• Cells: d ( XV )
V rg (2-98)
dt
• Product:
d PV
Vrp (2-99)
dt
• Substrate:

d( SV ) 1 1
F Sf V rg V rP (2-100)
dt YX / S YP / S

• Overall Mass Balance

• Mass:
d (V )
F (2-101)
dt
 The Continuous Stirred-Tank Reactor (CSTR)
Reaction: AB
q, mass/time; constant volume V
A
q, CAi, Ti Bioreactor, X: cells/volume
A, B
XA, T
q, C
dX
X V qX V X
dt

To improve the
Cooling medium at temperature Tc production rate, should
we increase q?

dX q q
X X D vs
dt V V
If D > , Washout!!!
 Process Control and Optimization
• Control has to do with adjusting flow rates to
maintain the controlled variables of the process at
specified setpoints.
• Optimization chooses the values for key setpoints
such that the process operates at the “best”
economic conditions.
– For example, Control has to do with maintaining
controlled variables at their setpoints, meanwhile adjust
the setpoints for certain controllers to optimize the
economic performance
 Maximizing the Profit of a Plant
• Many times involves controlling against constraints.
• The closer that you are able to operate to these
constraints, the more profit you can make. For
example, maximizing the product production rate
usually involving controlling the process against one or
more process constraints.
– Consider a reactor temperature control example for which at
excessively high temperatures the reactor will experience a
temperature runaway and explode.
– But the higher the temperature the greater the product yield.
– Therefore, better reactor temperature control allows safe
operation at a higher reactor temperature and thus more profit.
 Optimization and Control of a
CSTR
Temperature
Setpoint
Optimizer

Flow Setpoint Temperature

Controller
A B C

FC

FT Feed

TT
Steam

Product
 Economic parameters, operating
conditions, and reaction parameters
Q

r1 k1C A exp( E1 / RT ) r2 k2CB exp( E2 / RT )

A B C k1 3.8604 106 s 1
k2 1.8628 1013 s 1

E1 / R 5033K E2 / R 10,065 K
Q 10 L / s Vr 100 L
C AO 1.0 gmole / L VAF $0.15/ gmole
VA $0.10 / gmole VB $0.50 / gmole
VC $0.2 / gmole
 Optimization Example
Mole balance on A :
Q C A0 Q CA k1 exp[ E1 / RT ] C A Vr = 0
Solving for C A
C A0
CA
k1 exp[ E1 / RT ]Vr
1
Q
Likewise, C B and CC are calculated from mole
balances.
 Economic Objective Function

Q C A VA Q C B VB Q CC VC Q C A 0 V AF

• VB > VC, VA, or VAF

• At low T, little formation of B
• At high T, too much of B reacts to form C
• Therefore, there exits an optimum reactor
temperature, T*
 Optimization Algorithm

1. Select initial guess for reactor temperature

2. Evaluate CA, CB, and CC

3. Evaluate

4. Choose new reactor temperature and

return to 2 until T* is identified.
Graphical Solution of Optimum
Reactor Temperature, T*

2
Economic Objective

1.5
Function,

0.5 T*

0
250 275 300 325 350
-0.5
Reactor Temperature (K)
 Process Optimization
• Typical optimization objective function, :
= Product values-Feed costs-Utility costs
• The steady-state solution of process models
is usually used to determine process
operating conditions which yields flow
rates of products, feed, and utilities.
• Unit costs of feed and sale price of products
are combined with flows to yield
• Optimization variables are adjusted until
is maximized (optimization solution).
 Generalized Optimization
Procedure (Chapter 19)

Initial Estimate Numerical Optimum

of Optimization Optimization Operating
Variables Algorithm Conditions

Optimization Economic
Variables Function
Value
Model
Results Economic
Process Economic
Function
Model Parameters
Evaluation
 Homework (Chapter 2 and 9)
• Problem 2.1, 2.3, 2.13, 2.17, 9.1 and 9.2
 Chemical Process Control
ChE 462

Math review and Laplace Transform:

Chapter 3

(Week 3)

Office: Cupples II, Room 201

E-mail: yinjie.tang@seas.wustl.edu
 Solving First Order Linear Dyanmics
Imagine a system that varies in time; we might plot its output
vs. time. A plot might imply an equation, and the equation is
usually an ODE (ordinary differential equation). Therefore,
we will review the math of the first-order ODE while
emphasizing how it can represent a dynamic system.

Example: first-order, linear, variable-coefficient ODE

Process Dynamics Process

disturbance

How to solve the above equation using algebraic method?

Substitute it into
 Piecewise integration of non-smooth disturbances
dy
y Q( x ) y(0) 0
dx

0 0<x≤1 Q(x)
Q(x)= 2(x-1) 1<x≤2
0 2<x

0 0<x<1
y= 2e–x+1+2(x-2) 1<x<2 y
2e e –x 2<x
 An easier way to solve dynamics:
Laplace Transforms
• Laplace transform is one of the best known integral
transforms. It is commonly used to produce an easily solvable
algebraic equation from an ordinary differential equation.
• It has many important applications in control engineering:
provide valuable insight into process dynamics (a major
portion of the terminology of the process control profession)

1. Solution of differential equations (linear)

2. Analysis of linear control systems (frequency response)
3. Prediction of transient response for different inputs
Indicates
Laplace Laplace Transforms
Transform
st
L f (t ) f (t )e dt F (s )
0

• Approach is to apply Laplace transform to differential equation.

Then algebraically solve for Y(s). Finally, apply inverse Laplace
transform to directly determine y(t).

Method for Solving

Linear ODE’s using
Laplace Transforms