CHE304(Spring2010)__________________

LASTNAME,FIRST
Problemset#4
(1)RunKineticChallengeII(http://www.engin.umich.edu/~cre/icm/cre.html)
Youwillfindtheprogram KineticChallengeII intheCHE304distributionfolder,then
Kinetics,thenKinetic2,thenclickonKineticChallengeII.exe.Turninthelastpageofthe
programwithperformancenumber.
(2)
1

(a) TakingH2asyourbasisofcalculation,constructacompletestoichiometrictableforthe
followingreaction
0.5N2+1.5H2NH3
Thereactionisisobaric,isothermalflowsystemwithequimolarfeedsofN2andH2.
(b) Iftheenteringtotalpressureis16.4atmandtheenteringtemperatureis1727 oC,calculate
theconcentrationsofammoniaandhydrogenwhentheconversionofH2is60%.
(c) IfyoutookN2asyourbasisofcalculation,could60%conversionofN2beachieved?
a)

Ans:

H2
N2
NH3

A
B
C

Inlet
0.5
0.5
0

Total

b)CH2=0.025mol/L,CNH3=0.025mol/L
c)MaximumconversionX=1/3

1Fogler,H.S.,ElementsofChemicalReactionEngineering,PrenticeHall,1999

Oulet
0.5(1X)
0.5(1X/3)
X/3
1X/3

(3)1Thegasphasereaction2A+4B2CisfirstorderinAandfirstorderinBistobecarried
outisothermallyinaplugflowreactor.Theenteringvolumetricflowrateis2.5L/min,andthe
feedisequimolarinAandB.Theenteringtemperatureandpressureare727 oCand10atm,
respectively.Thespecificreactionrateatthistemperatureis4L/molminandtheactivation
energyis15,000cal/mol.
(a) WhatisthevolumetricflowratewhentheconversionofAis25%?
(b) Whatistherateofreactionattheentrancetothereactor.
(c) WhatistherateofreactionwhentheconversionofAis40%?
(d) WhatistheconcentrationofAattheentrancetothereactor?
(e) WhatistheconcentrationofAat40%conversionofA?
(f) Whatisthevalueofthespecificreactionrateat1227oC.
Ans:
a)
b)
c)
d)
e)
f)

1.875L/min
rA=1.485102mol/Lmin
rA=4.95103mol/Lmin
CA0=0.0609mol/L
CA=0.0609mol/L
k=49.53L/molmin

(4)1Calculatetheequilibriumconversionandconcentrationsforeachofthefollowingreactions.
(a) Theliquidphasereaction
A+BC
withCA0=CB0=2mol/LandKeq=

CCe
=10L/mol.
C AeC Be

(b) Thegasphasereaction
A3C
carriedoutinaflowreactorwithnopressuredrop.PureAentersatatemperatureof400 oK
and10atm.AtthistemperatureKeq=0.25mol2/L2.
(c) Thegasphasereactioninpart(b)carriedoutinaconstantvolumebatchreactor.
(d) Thegasphasereactioninpart(b)carriedoutinaconstantpressurebatchreactor.
Ans:
a) Xe=0.8;CAe=0.4mol/L,CBe=0.4mol/L,CCe=1.6mol/L
b) Xe=0.58;CA=0.0593mol/L,CB=0.246mol/L
c) Xe=0.392;CA=0.186mol/L,CB=0.359mol/L
d) Xe=0.58;CA=0.0593mol/L,CB=0.246mol/L

(5)(P531)Theirreversibleisomerization
AB
wascarriedoutinabatchreactorandthefollowingconcentrationtimedatawereobtained:
t(min)
CA(mol/L)

0
4.0

3
2.89

5
2.25

8
1.45

10
1.0

12
0.65

15
0.25

17.5
0.07

a)Determinethereactionorder,,andthespecificreactionrate,kusingdifferentialmethodof
rateanalysis.Fityourdatabyafourthorderpolynomial.
b)Assumearatelawoftheform
rA=kCA
IntegratetheequationforthecombinedmolebalanceandratelawandthenuseMatlabfunction
fminsearchtodetermineandk.
Ans:
%
t=[0 3 5 8 10 12 15 17.5];
C=[4.0 2.89 2.25 1.45 1.0 0.65 0.25 0.07];
np=length(t);
co=polyfit(t,C,4)
dCdt=4*co(1)*t.^3+3*co(2)*t.^2+2*co(3)*t+co(4);
x=log(C);
y=log(-dCdt);
c1=polyfit(x,y,1);
slope = c1(1); k=exp(c1(2));
fprintf('Reaction order = %g, k = %8.3f\n',slope,k)
xp=[x(1) x(np)];
yp=polyval(c1,xp);
plot(x,y,'o',xp,yp);grid on
xlabel('log(C), log(mol/L)')
ylabel('log(dC/dt),log(mol/L.min)')
>> p5d3
co =
Columns 1 through 4
0.0000 -0.0001 0.0112 -0.4031
Column 5
4.0002
Reaction order = 0.529766, k = 0.197 mol0.5/L1.5min

-0.5

log(dC/dt),log(mol/L.min)

-1

-1.5

-2

-2.5

-3

-3.5
-3

b)

-2.5

-2

-1.5

CA= C 1A0 (1 )kt

1 /(1 )

-1
-0.5
log(C), log(mol/L)

global t C
t=[0 3 5 8 10 12 15 17.5];
C=[4.0 2.89 2.25 1.45 1.0 0.65 0.25 0.07];
clf
p=fminsearch('f5d3b',[.9 .9]);
tp=0:18;
a=p(1);k=p(2);
a1=1-a;
Cal=(C(1)^a1-a1*k*tp).^(1/a1);
plot(tp,Cal,t,C,'o')
grid on
xlabel('t(min)');ylabel('C(mol/L)')
legend('Fitted','Data')
fprintf('alfa = %8.3f, k = %8.4f\n',a,k)
Cal=(C(1)^a1-a1*k*t).^(1/a1);
S=sum((C-Cal).^2);
Cave=mean(C);
St=sum((C-Cave).^2);
r=sqrt(1-S/St);
fprintf('correlation coefficient = %8.4f\n',r)
-----------------------------------------------------------------function y=f5d3b(p)

0.5

1.5

global t C
a=p(1);k=p(2);
a1=1-a;
Cal=(C(1)^a1-a1*k*t).^(1/a1);
y=sum((C-Cal).^2);
----------------------------------------------------------------->> p5d3b
alfa = 0.503, k = 0.1991 mol0.5/L1.5min
correlation coefficient = 1.0000
(6) Instead of expanding T cells in a batch reactor, you decide to expand
them in a CSTR. The fastest you can expand cells in a CSTR is when the
growth rate of the cells (k) is exactly equal to one over the residence time
of the reactor (1/ ). Assume that you are growing cells in a 1 L CSTR, with
a volumetric flow rate of feed and exit at 0.0294L/h, and that cell growth,
rT= kCT, where k=0.0294 h-1. The steady state concentration of T cells is 10 9
cells/L. If, at some point in time, a bacterial contaminant gets introduced in
the feed stream at a concentration of 10 cells/L, and the bacteria grows at a
rate of 0.46 h-1, how long will it be before the concentration of bacteria in
the reactor (and in the outlet stream with the T cells) is 10 6 cells/L. At a
certain concentration, the bacteria not only would pose a health risk to the
patient to whom the T cells could be returned, but they might also secrete
toxins and compete for nutrients, thus killing off the healthy T cell
population.
Ans:32.96h

(7) We have a process that reacts 67% CH 4 in O2 at 10 atm to form syngas (HRx = 8.5
kcal/mol CH4). Note: syngas consists of CO and H2.
(a) Estimate the adiabatic reactor temperature at completion if we produce 100% syngas with
a feed temperature of 400oC. Assume Cp = 7 cal/moloK.
(b) Estimate the adiabatic reactor temperature if we suddenly begin producing 100% total
combustion products (HRx = 192 kcal/mol).
(c) What do we have to be concerned with regarding reactor construction materials and
pressure relief capabilities to design for this possibility.
2

Ans:
a) 805oC
b) 4971oC
c) Temperature and Pressure will be much higher if combustion occurs. Need special material
and pressure relief.

2Schmidt,L.D.,TheEngineeringofChemicalReactions,Oxford,2004,pg.83(p.2.11)

(8) Youhaveasummerjobwithacompanythatisinterestedinbuildingaplanttomanufacture
thepainkilleribuprofen[2(pisobutylphenyl)propionicacid,C13H18O2]usinganewreaction
scheme. Yourassignment is tocollect some data ononeofthe reactions, as afirst stepin
designingafullscalereactor.Inoneexperiment,youmix134gisobutylbenzene(IBB,C 10H14)
with 134 g acetic anhydride (AAn, C 4H6O3) in a laboratoryscale batch reactor, adjust the
temperature,andwait1hour.Attheendofthehouryoustopthereaction,collectallthematerial
inthepot,andsenditforchemicalanalysis.ThereportcomebackthatthepotcontainsIBB,
acetic anhydride, isobutylacetophenone (IBA, C12H16O) and acetic acid (AAc, CH3COOH).
Unfortunately, someone spilled coffee on the report and all you can read is the amount of
isobutylbenxene:1.6g.Yourbossisupsetheneedsthedatarightaway.Canyoudeterminethe
amountsofIBB,AAn,andIBAfromtheavailableinformationforyourboss?
2

Ans:
1 3 4 g IB B
134 g AAn

R e a c to r

x
y
z
1

g
g
g
.6

AAc
AAn
IB A
g IB B

(m w
(m w
(m w
(m w

=
=
=
=

60)
102)
176)
134)

Thethreeunknownsx,y,andzcanbesolvedfromthebalancesofthreeelementC,H,andO.
x=59.28g,y=33.22g,andx=173.90g

2Murphy,R.M.,IntroductiontoChemicalProcessesPrinciples,Analysis,Synthesis,McGrawHill,2007,p.96