Chapter 4

The irreversible gas phase reaction A+B2C is carried out in a PFR reactor. The reaction
is non-elementary in that it is first order in A and zero order in B. The feed is equal molar
in A and B, and the pressure at the entrance is 10atm and the pressure at the exit is 2atm.
Additional information:
FA0=100 mol/s
K=1dm3/kg.s
CA0=1mol/ dm3
1) What is the conversion exiting the reactor?
2) If the flow were turbulent, what would be pressure drop if the cross sectional area
is increased by a factor 2 and the particle size decreased by a factor of 10? All
other conditions remain the same. (Hint: in the turbulent flow, the Ergun equation
neglects the part of 150(1-) /Dp. Reference: R.B.Bird, transport phenomena
(New York, Wiley, 1960), p. 200.)
Answer:
1) X=0.5
2) Pressure drops too great, no flow under these conditions.

This problem is to study the pressure drop in PBR.

Mole balance, rate law, stoichiometry and Ergun equation are used to solve the problem.
The main point:
1. Calculate using the pressure drop
2. The relation between 0 and cross sectional area and particle diameter.

Solution:

 ra' kC A

dx ra'

1)
dw FA 0

C A C A0 (1 x )

p
p0

KC A0 (1 x) p
dx

dw
FA 0 p 0
0

p
2
(1 W ) 0.5
(1 W ) 0.5 0.0096 Kg 1
p0
10

KC A0 (1 x )
dx

(1 W ) 0.5
dw
FA 0
KC A0 1 1

0.01
FA 0
100

KC A0
dx

(1 W ) 0.5 dW
1 x
FA 0

KC A0
dx

1 x
FA 0

2)

100

(1 W ) 0.5 dW x 0.5

2 0
Ac (1 ) c p 0

0
Ac

G2
Dp

(For turbulent flow)

So A 3 D
c
p
Ac , 2 2 Ac ,1

D p,2

1
D p ,1
10

Ac3, 2 D p , 2
1
1
3
8
0.8 2 1.25 1
2
10
Ac ,1 D p ,1

Calculate the new pressure drop

p
(1 2W ) 0.5 (1 1.25 0.0096 100) 0.5 ( 0.2) 0.5
p0

Before the exit of PFR, p=0

Chapter 8

1
Ac

The elementary reversible gas phase reaction A 2B is to be carried out adiabatically.

Pure A is fed at a rate of 2 mol/min, at temperature of 373 K, and at concentration of 0.01
mol/dm3.
Additional information:
C PA 5.0cal /( mole K )
C PB 2.5cal /( mole K )

HR= -3500 cal/mol at 373 K

Ke=0.05 at 373 K
What is the adiabatic equilibrium temperature and conversion?
Answer: xe 0.45

T 688 K

This problem is to study the steady-state nonisothermal reactor.

Stoichiometry, the relation between equilibrium constant and conversion, Vant Hoffs
equation and energy balance are used to solve problem

The main point: mole balance and energy balance.

Solution:

Mole balance:
=1
C A C A0 (

1 x T0
)
1 x T

CB

2C A0 x T0
1 x T

C B2 4C A20 xe2T02 (1 xe )T K eT xe2

Ke 2
2
C A (1 xe ) TC A0 (1 xe )T 4C A0T0 1 xe
K eT
4C A0T0
xe
K eT
1
4C A0T0

4C A0T0 4 0.01 373 14.92

1
1
1
T 373
3500 1
0
K e K e (T1 ) exp H Rx
(
(
) 0.05 exp(4.722
)
0.05 exp
T1 T )
T
1.987 373 T

Energy balance:
CP=0
x EB

C
i

pi

(T T0 )

H Rx (T )

5(T 373)
3500

T 373
)T
T
xe
T 373
14.92 0.05 exp(4.722
)T
T
0.05 exp(4.722

Combining the last two equations: x EB x e

xe 0.45

Chapter 12

T 688 K

Consider a gas-solid (catalyst) reaction A( g ) B ( g ) in which the reaction is zero-order,

and the solid particles have slab or flat-plat geometry with two faces permeable to A.
The thickness is 2L.
1) Derive the diffusion equation in nondimensional form for A together with the
expression for the Thiele Modulus.
2) Solve the equation in 1) to give the nondimensional concentration

Answer:
1)

d 2
02 0
d 2
1
2

2) 02 (2 1) 1

This problem is to study the Thiele Modulus in rectangular coordinate and to solve
concentration profile with boundary conditions.
Shell balance, rate law, Ficks law, dimensionless and boundary theory are used to solve
the problem

The main point:

1. Shell balance
2. The second boundary is hard to get

Solution:

1) S is the cross-section area for catalyst.

S W AZ

S W AZ

W AZ De

Z Z

rA' c SZ 0

dC A
dZ

rA' rA" S a K 0 S a
order)
Substitute the above two equations into the first one and divided by SZ
d 2C A K 0 c S a

0
De
dZ 2

Let

CA

C As

d 2 C A d 2 C As
2 2
dZ 2
d L

d 2 L2 K 0 c S a

0
De C As
d2

Let 0 L

K0 c Sa
De C As

d 2
02 0
2
d

2) Solve the diffusion equation:

1
02 2 c1 c 2
2

BC: At the surface

c1, c2 are constants

Z L
1
L L

At the center 0
d
d

02

d
0
d

c1 0 c1 0

1
2

1
2

2
2
From first BC: 1 0 c 2 c2 1 0

1
2

2
2
So 0 ( 1) 1

C A C As

1
C As C As

(1)

(2)

(For

zero

Chapter 13
The following concentration readings are of response to an impulse input of tracer
T(min)
0
C(mol/L) 0

10
1

20
3

30
5

40
5

50
4

60
2

70
1

80
0

What conversion (using zero-parameter model) can be expected in this reactor of a first
order reaction that has a conversion of 82.18% in an ideal CSTR at the same residence
time?
Answer:
0.962

This problem is to study distribution of residence time

Residence-time distribution function, mean residence time, rate law and zero-parameter
model are used to solve the problem.
The main point is to calculate mean residence time and reaction constant.

Solution:
Using polymath

80

E (t )

CdT 211 .5

C (t )

80

tm
t

C
0
10
20
30
40
50
60
70
80

0
1
3
5
5
4
2
1
0

E(t)

tE(t)

0
0.004728
0.014184
0.023641
0.023641
0.018913
0.009456
0.004728
0

0
0.047281
0.283688
0.70922
0.945626
0.945626
0.567376
0.330969
0

C (t )dt

First order reaction in an ideal CSTR:

X

k
1 k

0.8218

k 38.62
k 0.1194
1 k 38.62

Segregation conversion of first order reaction is given by:

80

X 1 e kt E (t )dt 1 0.038 0.962

0

exp(-kt)

E(t)

exp(-kt)E(t)

0
10
20
30
40
50
60
70
80

1
0.30301
0.09181
0.02782
0.00843
0.00255
0.00077
0.00023
7.11E-05

0
0.00473
0.01418
0.02364
0.02364
0.01891
0.00946
0.00473
0

0
0.00143
0.0013
0.00066
0.0002
4.83E-05
7.32E-06
1.11E-06
0

tm

80

tE (t ) dt 38.62