Edrian A.

Maalong October 23, 2014

CHE172

HOMEWORK#1
DUE DATE: October 23, 2014
CHE172_Chemical Reaction Engineering 2

Solve the following problems. Submit your simulation
1. The reversible isomerization A B is to be carried out in a membrane reactor. Owing
to the configuration of species B, it is able to diffuse out the walls of the membrane,
while A cannot.

Additional information:
Specific reaction rate, k
A
= 0.05/s
Transport coefficient kc= 0.3/s
Equilibrium constant Ke=0.5
Entering volumetric flow rate = 10 L/s
C
A0
=0.2 mol/L

(a) What is the equilibrium conversion assuming that B does no diffuse out of the
reactor walls?
(b) Plot the conversion profiles and species concentrations and the molar flow rates
down the length of the reactor.

2. The production of ethylene glycol from ethylene chlorohydrins and sodium bicarbonate
CH2OHCH2Cl2 + NaHCO3 (CH2OH)2 + NaCl + CO2
is carried out in a semi-batch reactor. A 1.5 molar solution of ethylene chlorohydrin is
fed at a rate o.1 mol/min to 1500L of a 0.75M solution of sodium bicarbonate. The
reaction is elementary and carried out isothermally at 30C where the specific reaction
rate is 5.1L/mol-h. Higher temperatures produce unwanted side reactions. The reactor
can hold a maximum of 2500L of liquid. Assume conatant density. Plot and analyze the
conversion, reaction rate, concentration of reactants and products, and number of
moles of glycol formed as a function of time.


ANSWERS:
(1)
Variable Initial value Minimal value Maximal value Final value
1 v 0 0 750. 750.
2 X 0 0 0.3333333 0.3333333
3 k 0.3 0.3 0.3 0.3
4 Cao 0.2 0.2 0.2 0.2
5 Ke 0.5 0.5 0.5 0.5
6 Fao 2. 2. 2. 2.
7 ra -0.06 -0.06 -1.332E-17 -1.332E-17
8 rate 0.06 1.332E-17 0.06 1.332E-17
9 Xe 0.3333333 0.3333333 0.3333333 0.3333333

Differential equations
1 d(X)/d(v) = -ra / Fao

Explicit equations
1 k = 0.3
2 Cao = 0.2
3 Ke = 0.5
4 Fao = 2
5 ra = -k * Cao * (1 - (1 + 1 / Ke) * X)
6 rate = -ra
7 Xe = Ke / (1 + Ke)

General
Total number of equations 8
Number of differential equations 1
Number of explicit equations 7
Elapsed time 0.000 sec
Solution method RKF_45
Step size guess. h 0.000001
Truncation error tolerance. eps 0.000001







(2)

Calculated values of DEQ variables
Variable Initial value Minimal value Maximal value Final value
1 t 0 0 400. 400.
2 Cc 0 0 1.028687 1.028687
3 Cb 0.75 -1.358E-13 0.75 4.656E-17
4 Ca 0 0 0.4112903 0.4112903
5 Cao 1.5 1.5 1.5 1.5
6 Fao 6. 6. 6. 6.
7 k 5.1 5.1 5.1 5.1
8 vo 4. 4. 4. 4.
9 Vo 1500. 1500. 1500. 1500.
10 rA 0 -0.003907 1.96E-12 -9.766E-17
11 V 1500. 1500. 3100. 3100.
12 Nc 0 0 3188.929 3188.929
13 xb 0 0 1. 1.

Differential equations
1 d(Cc)/d(t) = -rA + (vo / V) * Cc
2 d(Cb)/d(t) = rA + (vo / V) * (-Cb)
3
d(Ca)/d(t) = rA + (vo / V) * (Cao -
Ca)

Explicit equations
1 Cao = 1.5
2 Fao = 6
3 k = 5.1
4
vo = Fao /
Cao
5 Vo = 1500
6
rA = -k *
Ca * Cb
7 V = Vo + vo * t
8 Nc = Cc * V
9
xb = 1 - Cb * V /
(0.75 * 1500)









General
Total number of equations 12
Number of differential
equations
3
Number of explicit equations 9
Elapsed time
1.157
sec
Solution method RKF_45
Step size guess. h 0.000001
Truncation error tolerance.
eps
0.000001