Process Modelling, Simulation and Control for Chemical

Engineering. Worked problems. Chapter 2: Fundamentals.

This document contains my own solutions to the problems proposed at the
end of each chapter of the book Process Modelling, Simulation and Control
for Chemical Engineers Second Edition, by William L. Luyben. At such, I
cant guarantee that the proposed solutions are free from errors. Think about
them as a starting point for developing or as a means of checking your own
solutions. Any comments or corrections will be appreciated. Contact me at
francisco.angel.rod@gmail.com

Problem 1
Write the component continuity equations describing the CSTR of Figure 1
with:
1. Simultaneous reactions (first-order, isothermal).

1 k
A B
2 k
A C

2. Reversible (first-order, isothermal).

k1
A
)*
B
k2

Figure 1: CSTR

Solution
For both parts 1 and 2, the quantities entering, leaving, and accumulating
in the system are analogous for every chemical species:

Entering: F0 Cj0
Leaving: F Cj

1
 d
Accumulating: dt (V Cj )

1. For simultaneous reactions, the generation terms are:

A: k1 V CA k2 V CA
B: k1 V CA
C: k2 V CA
The expressions for the continuity equations are:
d
A: dt (V CA ) = F0 CA0 k1 V CA k2 V CA F CA
d
B: dt (V CB ) = F0 CB0 + k1 V CA F CB
d
C: dt (V CC ) = F0 CC0 + k2 V CA F CC
2. For reversible reactions, the generation terms are:
A: k1 V CA + k2 V CB
B: k1 V CA k2 V CB

The expressions for the continuity equations are:

d
A: dt (V CA ) = F0 CA0 k1 V CA + k2 V CB F CA
d
B: dt (V CB ) = F0 CB0 + k1 V CA k2 V CB F CB

Problem 2
Write the component continuity equations for a tubular reactor (Figure 2), with
consecutive reactions ocurring:
1 k 2 k
A B C

Figure 2: Tubular reactor

Solution
The quantities entering, leaving, and accumulating are analogous for every
chemical especies:
Cj
Entering: AT vCj AT Dj z

2
 h  i

 C C
Leaving: AT vCj + z (AT vCj ) dz AT Dj zj z AT Dj zj dz

Accumulating: t (AT dzCj )

The generation terms for the consecutive reactions are:

A: AT dzk1 CA

B: AT dzk1 CA AT dzk2 CB
C: AT dzk2 CB
The expressions for the continuity equations are, after dividing for AT dz:

DA C


A: t CA = z (vCA ) + z z
A
k1 CA

DB C


B: t CB = z (vCB ) + z z
B
+ k1 CA k2 CB

DC C


C: t CC = z (vCC ) + z z
C
+ k2 CB

Problem 3
Write the component continuity equations for a perfectly mixed batch reactor
(no inflow or outflow) with first-order isothermal reactions:
1. Consecutive
2. Simultaneous
3. Reversible

Solution
For a batch reactor, the continuity equations are analogous to the CSTR ex-
ample, without the inflow and outflow terms. Asuming the rection volume is
constant we have:
dCA
1. A: dt = k1 CA
dCB
B: dt = k1 CA k2 CB
dCC
C: dt = k2 CB
dCA
2. A: dt = k1 CA k2 CA
dCB
B: dt = k1 C A
dCC
C: dt = k2 CA
dCA
3. A: dt = k1 CA + k2 CB
dCB
B: dt = k1 CA k2 CB

3
Problem 4
Write the energy equation for the CSTR of Problem 1 in which consecutive first
order reactions occur with exothermic heats of reaction 1 and 2 .
Solution
Assuming that the entalphy can be represented as h = CpT on a molar basis,
the energy balance can be written, neglecting mixing effects as ( is negative
for an exothermic reaction):

d
(V T (CA Cp,A + CB Cp,B )) = F0 T0 (CA0 Cp,A + CB,0 Cp,B )
dt
F T (CA Cp,A + CB Cp,B )
V (k1 CA 1 + k2 CB 2 )

Remember that entalphies are measured against a reference state, so we are

not saying here that the entalphy of A and B are the same at 0 temperature,
instead, we are saying that at 0 temperature, the difference of entalphy between
species A and B with their respective reference states are the same (equal to 0).

Problem 5
Charlie Brown and Snoopy are sledding down a hill that is inclined degrees
from horizontal. The total weight of Charlie, Snoopy, and the sleed is M. The
sled is essentially frictionless but the air resistance of the sledders is proportional
to the square of their velocity. Write the equations describing their position x,
relative to the top of the hill (x=0). Charlie likes to belly flop, so their initial
velocity at the top of the hill is v0 . What would happen if Snoopy jumped off
the sled halfway down the hill without changing the air resistance?
Solution
First, the forces experienced by the ensemble of mass M must be determined.
One is the component of the weight directed parallel to the hill Fg = M gsen,
the other is the air resistance Fr = kv 2 . Now from Newtons second law:

d2 x
M = Fg + Fr
dt2
 2
d2 x dx
M 2 = M gsen k
dt dt
With the initial conditions xt=0 = 0, dx


dt t=0 = v0
Assuming that half way the sled already reached his terminal velocity, after
Snoopy jumps, Charlie Brown will decelerate, because Fg is momentarily smaller
that Fr . In any case, the final velocity reached by Charlie Brown alone will be
smaller than the velocity that would have been reached if Snoopy remained in
the sled.

4
Problem 6
An automatic bale tosser on the back of a farmers hay baler must throw a
60-pound bale of hay 20 feet back into a wagon. If the bale leaves the tosser
with a velocity vr in a direction = 4500 above the horizontal, what must vr
be? If the tosser must accelerate the bale from a dead start to vr in 6 feet, how
much force must be exerted? What value of would minimize the acceleration
force?

Figure 3: Tosser

Solution
Assuming that the y coordinate at the exit of the tosser and at the wagon
are equal, the half time of flight is equal to the time required for reaching the
maximum altitude, which can be calculated dividing the y-velocity at the exit
of the tosser by the gravity acceleration:
1 vr sen
tf light =
2 g
The distance L must be covered in tf light :

L
= vr cos
tf light
r  
Lg ft
vr = = 25.4
2cossen s
With l = 6[f t], we have from the dynamic equations for the acceleration step:

at2acc
l=
2
vr = atacc
Which permit to determine the value of the acceleration (a):

vr2 gL
a= =
2l 4lcossen

5
 M gsen aM
From Newtons second law, Ftosser gc = gc :
 
Mg L
Ftosser = sen +
gc 4lcossen

The minimum value corresponds to 142[lbf ] (38.9). The force required in the
case of = 4500 is 140 [lbf ].

Problem 7
A mixture of two inmiscible liquids is fed into a decanter. The heavier liquid
settles to the bottom fo the tank. The lighter liquid forms a layer on the top.
The two interfaces are detected by floats and are controlled by manipulating
the two flows F and F .
F = K h
F = K (h + h )
The controllers increase or decrease the flows as the levels rise or fall. The total
feed rate is F0 . The weight fraction of liquid in the feed is x . The two densities
and are constant. Write the equations describing the dynamic behavior
of this system.

Figure 4:

Solution Assuming that the flows F0 , F and F are volumetric flows, first
a volumetric fraction is calculated as:
x 1

x,v =
x 1
(1 x )1

6
The dynamic equations for the height of each phase are:
dh 1
= (F0 x,v K h )
dt Ad
dh 1
= (F0 (1 x ) K (h + h ))
dt Ad