CHE 304 (Spring 2010)                                                                               __________________

                                                                                                                       LAST NAME, FIRST 
                                                  Problem set #9

(1) Run Heat Effects I (http://www.engin.umich.edu/~cre/icm/cre.html)
Click   on   the   CHE   304   distribution   folder,   then  ICMw,   then  Menu.exe.   Click   on  the
appropriate   program   name   on   the   menu.   Turn   in   the   last   page   of   the   program   with
performance number.

(2)  The endothermic liquid­phase elementary reaction
1

A + B   2C

proceeds,   substantially,   to   completion   in   a   single   steam­jacketed,   continuous­stirred   reactor

(Table 2­1). From the following data, calculate the steady­state temperature:

Reactor volume: 125 gal. Steam jacked area: 10 ft2
Jacket steam: 150 psig(365.9oF saturation temperature)
Overall heat­transfer coefficient of jacket, U:150 Btu/hrft2oF
Agitator shaft horsepower: 25 hp
Heat of reaction,  H Rx = 20,000 Btu/lbmol of A (independent of temperature)
o

Table 2­1
Component
A B C
Feed (lbmol/hr) 10.0 10.0 0
Feed temperature (oF) 80.0 80.0 ­­­
Specific heat (Btu/lbmoloF) 51.0 44.0 47.5
Molecular weight 128 94 ­­­
Density (lb/ft3) 63.0 67.2 65.0

Ans: 199.4oF

 (3)1 The elementary irreversible organic liquid­phase reaction

A + B  C

is carried out adiabatically in a flow reactor. An equal molar feed in A and B enters at 27oC, and
the volumetric flow rate is 2 L/s.
(a) Calculate the PFR and CSTR volumes necessary to achieve 85% conversion.

1
 Fogler, H. S., Elements of Chemical Reaction Engineering, Prentice Hall, 1999
(b) What is the maximum inlet temperature one could have so that the boiling point of the liquid
(550oK) would not be exceeded even for complete conversion?
(c) Calculate the conversion that can be achieve in one 500­L CSTR and in two 250­L CSTRs in
series.

Additional information:

HoA =  20 kcal/mol, HoB =  15 kcal/mol, HoC =  41 kcal/mol
CA0 = 0.1 kmol/m3, CpA = CpB = 15 cal/moloK, CpC = 30 cal/moloK
Activation energy E = 10,000 cal/mol, k = 0.01 L/mols at 300oK.

Ans:  (a) VCSTR = 175 L, VPFR = 320 L,

(b) 350oK (c) 1 500 L CSTR X = 0.921, 2 250 L CSTR X = 0.969

(4)  Find  Q
2  ( t) or  Q
 ( z) necessary to maintain a 5 liter batch reactor or PFR isothermal reactor

at 300oK for the reaction A  B. The reaction is first order with k = 2.0 min­1, CA0 = 2 mole/liter,
HRx =  30 kcal/mol. What is the average rate of heat removal for 95% conversion?

Ans:  Q
 (t) = 600exp(2t); 
Q ave = 190.3 kcal/min

(5)1 The gas phase catalyzed hydrogenation of o­cresol to 2­methylcyclohexanone is given by

o­cresol(A) + 2H2(B)   2­methylcyclohexanone(C)

The reaction rate on a nickel­silica catalyst was found to be 

 rA = kPB, where k = 1.74 mol of o­cresol/(kg catminatm) at 170oC

The reaction mixture enters the packed­bed reactor at a total pressure of 5 atm. The molar feed
consists of 67% H2  and 33%  o­cresol at a total molar rate of 40 mol/min. Accounting for the
pressure drop in the packed bed using a value of     = 0.34 kg­1, plot the rate of reaction of  o­
cresol and the partial pressure of each species as a function of catalyst weight (to 4.8 kg). 

5
( 1 X ) 5
X
PA = 3 (
1  2 X / 3)
, PB = 2PA , PC = 3 (
1  2 X / 3)

2
 Schmidt, L.D., The Engineering of Chemical Reactions, Oxford, 2004, pg. 242
% Problem 5 set 9
%
wspan=0:0.1:4.8;
[w,xy]=ode45('fs9p5',wspan,[0 1]);
plot(w,xy)
grid on
xlabel('w(kg)');ylabel('X, y');
x=xy(:,1);y=xy(:,2);
pa=5*(1-x)./(1-2*x/3)/3;
pb=2*pa;
pc=5*x./(1-2*x/3)/3;
ra=1.74*pb.*y;
pp=[pa pb pc ra];
figure(2);plot(w,pp)
grid on
xlabel('w(kg)');ylabel('p(atm), r(mol/kg.min)');
legend('P_A','P_B','P_C','rate')

% Function for problem 5 set 9

%
function wx=fs9p5(W,xy)
X=xy(1);y=xy(2)
wx(1,1)=0.435*y*(1-X)/(1-2*X/3);
wx(2,1)=-0.34*(1-2*X/3)/(2*y);

(6)  Use Comsol Multiphysics to simulate an isothermal reactor (Example 7.6­1 in the notes).
Turn in Figure 2, 3, 4, and 5 of this example.
 (7) The hydrogenolysis of thiophene1 (C4H4S) has been studied at 235-265oC over a cobalt-
molybdenum catalyst, using a CSTR containing 8.16 g of catalyst. The stoichiometry of the
system can be represented by

C4H4S + 3H2  C4H8 + H2S (Rxn. 1)

C4H8 + H2  C4H10 (Rxn. 2)

The feed to the CSTR consisted of a mixture of thiophene, hydrogen, and hydrogen
sulfide. The mole fraction of butane (C4H8), butane (C4H10), and hydrogen sulfide in the
reactor effluent were measured. The mole fractions of hydrogen and thiophene were not
measured. The data from one particular experimental run are given below:

Total pressure in reactor = 832 mmHg

Feed rate Mole fractions in effluent
Thiophene = 0.653×10-4 mol/min H2S = 0.0719
-4
Hydrogen = 4.933×10 mol/min Butenes (total) = 0.0178
Hydrogen sulfide = 0 Butane = 0.0541

Calculate:  rT (the rate of disappearance of thiophene) and the partial pressure of

thiophene, hydrogen, hydrogen sulfide, butenes (total), and butane in the effluent. You
may assume that the ideal gas laws are valid.

Thiophene Hydrogen H2S Butenes Butane

Mol fraction 0.0682 0.778 0.0719 0.0178 0.0541
Partial pressure, mmHg 56.7 655.8 59.8 14.8 45.0

1
 Roberts, G. W., Chemical Reactions and Chemical Reactors, Wiley, 2006, pg. 59, P. 3­9