Department of Chemical Engineering I.I.T.

Bombay, India

Lecture 4: Dynamics and Laplace

Transforms
Department of Chemical Engineering I.I.T. Bombay, India

First principles Modeling

Step response
Step change
F h

time time
During transients, the rate based conservation law should be applied
Department of Chemical Engineering I.I.T. Bombay, India

General conservation principle

Basic Equation:
Input + Generation Output Depletion = Accumulation

Constitutive Equations
Based on other known physical and chemical principles such
as transport equations, chemical rate expressions and
thermodynamic relations
Notes: a) The above terms are all expressed as rates.
b) They are applicable to each of the individual terms viz. mass,
momentum and energy.
Department of Chemical Engineering I.I.T. Bombay, India

Illustrative Examples

Single tank problem

Fin + 0 Fout - 0 = d(Ah)

Input rate generation Output Depletion dt

Constitutive relationship

Output flowrate Fout is proportional to the height

Fout ch
Department of Chemical Engineering I.I.T. Bombay, India

Illustrative Examples (contd)

dh
A Fin ch
dt
or
A dh 1
h Fin
c dt c

dy A 1
y Ku , with , y h and K
dt c c
and
y( s) K

u ( s) s 1
Department of Chemical Engineering I.I.T. Bombay, India

Illustrative Examples Nonlinear case

Assume that the output flowrate Fout is proportional to

the square root of height

Fout c h
Therefore,
dh
A Fin c h
dt

How do you carry out the Laplace transformation ?

Department of Chemical Engineering I.I.T. Bombay, India

Linearization of nonlinear processes

Linearize the nonlinear term around an operating point h and Fin,

c
Fout c h c h (h h )

2 h

c dh
Fin c h (h h ) A and
dt
F in c h
2 h

Introduce deviation variables

~
Fin Fin Fin
~
h hh
Department of Chemical Engineering I.I.T. Bombay, India

Linearization of nonlinear processes (contd)

~
~ ~ dh c
F in c1 h A , with c1
dt
2 h

And therefore, ~
h( s ) K'
'
F in ( s) s 1
~

Notes: a) Linearized dynamics dependent on the point of

linearization.
b) Deviation variables enforce h(0) = 0
Department of Chemical Engineering I.I.T. Bombay, India

Illustrative Examples Degrees of Freedom

Stirred tank heater

Ti

T= TR

Q
Department of Chemical Engineering I.I.T. Bombay, India

Degrees of Freedom Analysis

dT
mC wC (Ti T ) Q
dt
Degree of freedom analysis can be used to find out how many
variables can be independently manipulated.
NF=NV-NE, where NF , NE and NV are respectively the degrees
of freedom, the number of equations, and the number of
variables.
m and C are known parameters related to the design. Thus, w,Ti
and Q must be specified for the model to be completely
determined. Thus, NF = 3.
Department of Chemical Engineering I.I.T. Bombay, India

Illustrative Examples State space model

h1 Fin = c1h1

h2

Fout = c2 h2
Department of Chemical Engineering I.I.T. Bombay, India

Illustrative Examples State space model

dh1(t)
A1 c1h1(t) Fin(t)
dt
dh2(t)
A2 c2 h2(t) c1h1 (t )
dt
In state space form,

dh1 c1
dt A1
0
1
h 1
dh c A1 Fin (t )
c2 h2
2 1 0
dt A2 A2
Department of Chemical Engineering I.I.T. Bombay, India

Illustrative Examples State space model

The state equations completely define the dynamics of the system.

However, not all the states are measureable and hence you have
the output equation in terms of the measured variable y,

h1
y 0 1
h2

Example: In a distillation column, you cannot sense all the states but
the holdup equations describe the internal dynamics completely.
The outputs could be states themselves or some linear combination
of the states, for e.g. product evolution rates as function of reactants.
Department of Chemical Engineering I.I.T. Bombay, India

Q, CAF Chemical Reactor

Consider a CSTR (continuous stirred tank
reactor); feed pure A
V CA
Isothermal Reaction; no heat effects

AB A B; rA k C A
Q, CA
Constant Volume, V; Constant density
Variable Description Units

Q Volumetric flow rate m3 / min

CAF , CA Conc. of species A at inlet & outlet resepctively mol / m 3
-rA Rate of Reaction (rate of disappearance of A) mol of A / (m 3 min)
k Reaction Rate Constant *min-1
V Volume of the tank contents m3
*: The units of k are min-1 only for first order reactions
Department of Chemical Engineering I.I.T. Bombay, India

Dynamic Balance Equations

dC A
V Q C Af Q C A kC A V
dt

System comprises of only 2 chemical species A and B

Can write only 2 independent mass balances

- write for species A and species B
- write overall balance & one component balance
(either for species A or B)
Department of Chemical Engineering I.I.T. Bombay, India

A Plug Flow Reactor (PFR)

0 L
A

Feed Product

Dz
z Feed is pure A
z z + Dz Isothermal Reaction
No heat effects;
AB
Control Volume: Element of Volume ADz
Constant density
Between z & z + Dz
Constant velocity ,v
Department of Chemical Engineering I.I.T. Bombay, India

Variable Description Units

v Velocity of Stream m / min

A Cross sectional area of the tube m2
-rA Rate of Reaction (rate of disappearance of A) mol of A / (m 3 min)
k Reaction Rate Constant *min-1

Focus on the control volume (A Dz) over the time interval

t to t + Dt

Moles of A Moles of A
Moles of A Moles of A
in CV at time - in CV at time = entering CV
during - leaving CV
during
t + Dt t time interval Dt time interval Dt

Moles of A disappearing
Moles of A accumulated in CV
during the time interval Dt
- in CV due to reaction
during time interval Dt
Department of Chemical Engineering I.I.T. Bombay, India

A Dz C A t Dt
A DzC A t v A C A Dt z v A C A Dt z Dz
k C A ADz Dt

Dividing by A Dz Dt throughout, we get

CA CA v CA v CA
t Dt t
z z Dz
k CA
Dt Dz
In the limit both Dz and Dt tending to zero, we get

C A C A A Partial Differential Equation (PDE)

v k CA characteristic of a Distributed
t z Parameter System (DPS)