NEW MEXICO STATE UNIVERSITY

Department of Chemical Engineering

CHE 441 Chemical Kinetics and Reactor Engineering

Spring 2005, Exam 1

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Examination Rules
Closed Book & Notes
Clearly state ALL assumptions AND indicate where they apply in the solution
All solutions must be on the pages supplied in this packet, any personal paper
included in your solution will not be graded. If required, the exam proctor will
provide you with additional pages. All pages must be stapled together at the
conclusion of the exam. Any pages not stapled to the cover page will not be
graded.

D.A. Rockstraw, Ph.D., P.E.

D.A. Rockstraw, Ph.D., P.E.
Problem 1 (30 points)
The liquid reaction A B occurs in a CSTR with 90% conversion. The CSTR feed is 2 mol/L of
pure A fed at 4 L/min. What residence time and volume are required if the rate constant is
(a) 0.5 min-1; (b) 0.5 L mol-1 min-1?

SOLUTION

V C Ao C A
Mole Balance = =
rA exit

(
a ) rA = k A C A = 0.5 min -1 C A)
Rate Law
( )
b) rA = k A C A2 = 0.5 L min -1 C A2

= o liquid
Stoichiometry
C A = C Ao (1 X ) = 2.0 mol
L (1 0.9 ) = 0.2 L
mol

C Ao X
a) =
k AC A
Combine
C Ao X
b) =
k A C A2

(2.0 molL )(0.9)

a) =
(0.5 min 1 )(0.2 molL ) = 18 min
V = = (4 L min )(18 min ) = 72 L
Evaluate
(2.0 molL )(0.9)
b) = = 90 min
(0.5 L mol 1 min 1 )(0.2 molL )2
V = = (4 L min )(900 min ) = 360 L

D.A. Rockstraw, Ph.D., P.E.

Problem 2 (20 points)
Develop and solve the mole balance for the start-up of CSTR in which a first order isomerization
is occurring. Express the time required to achieve steady-state in terms of initial reactant
concentration, reaction rate constant, and space time.
SOLUTION
V dN j
GMBE Fjo + r j dV Fj =
dt
define = o , V = Vo , = Vo o
dC A
Rewrite GMBE C Ao C A + rA =
dt

+ C A (1 + k ) = C AO [1]
dC A
Substitute a first order rate equation for r:
dt
( )
An integrating factor of the form R = exp Pdx may be used to obtain an analytical solution to
dy
an ODE of the form R + RPy = RQ .
dx
1 + k 1 + k
For Eqn [1], this becomes R = exp dt = exp t

1 + k
d C A exp t
C AO 1 + k
rewrite as = exp t
dt
1 + k C AO 1 + k
separate variables d C A exp t = exp t dt

C AO (1 + k )
integrate, (K is integration constant), divide by R CA = + K exp t
1 + k

C AO (1 + k )
Use CA(t=0) = CAo as initial condition to eliminate K CA = 1 exp t
1 + k

CA C AO (1 + k )
define steady state concentration as CA = 0.99CAs = 1 exp ts
C As 1 + k

C As 1
solve for ts ts = ln = ln = 4.6
1 + k C As C A 1 + k 1 0.99 1 + k

D.A. Rockstraw, Ph.D., P.E.

Problem 3 (30 points)
The gas-phase reaction A B + C is being carried out batch in a 1000 dm3 vessel at 500 K and
5.0 atm. The reactor is initially charged with an equimolar gas mixture of A and of an inert.
(a) Build a stoichiometric table showing molar concentrations at the conclusion of the reaction.
(b) Determine the amount of time required to achieve 75% conversion, if the reaction is
elementary, and the rate constant 0.0231 hr-1.
(c) Find the concentration of B and the mole fraction of inerts at 75% conversion.
SOLUTION
(a) specie initial change final Conc (Ni/V)
A NA0 -X NA0 NA0 (1-X) C A = C A0 (1 X )
B + X (b/a) NA0 NA0 (b/a) X
C B = C A0 X
NA0 X
C + X (c/a) NA0 NA0 X CC = C A 0 X
I I NA0 NA0 C I = C A0
total NT0 = 2NA0 NT = NA0 (2+X)
Stoichiometry assumes constant pressure and temperature:

= , = y A = ( 12 )(1 + 1 1) = 12 , V = Vo , C A0 = N A0 V0
N A0 1 1
I = 1 , y A0 = =
NT 0 1 + I 2
N A N A0 (1 X )
e.g., for A CA = = = C A0 (1 X )
V Vo
dC A
(b) Constant-volume batch reactor design equation = rA
dt

Rate law rA = kC A

t C
dC A 1 A dC A
Substitute
dt
= kC A 0 dt = k C C A
Ao

1 C Ao 1 1 1 1
solve t= ln = ln = ln = 60hr
k C A k 1 X 0.0231hr
1
1 0.75

C B = XC A0 = X ( y A )
P
= (0.75)(0.5)
(5.0atm ) = 0.046 dm
( )
(c) mol

0.0821 mol K (500 K )

3
RT dm 3 atm

NI N Ao 1
yI = = = = 0.36
N T N Ao (2 + X ) (2 + 0.75)

D.A. Rockstraw, Ph.D., P.E.

Problem 4 (20 points)
What mass of catalyst is needed to convert 90% of a 150 dm3/min feed consisting of equimolar
quantities of reactant and inert, for the gas-phase reaction 2A B carried out in a PBR at 3 atm
and 50C (k = 0.1 dm6 mol-1 kg-1catalyst s-1)?
SOLUTION
dX rA'
Mole balance: =
dW FAo

Rate Law: rA' = kC A2

Stoichiometry: FA = FAo (1 X )
= o (1 + X )
FA 1 X
CA = = C Ao
1 + X
P 3 atm
C Ao = y Ao = 0. 5 = 0.057 mol
RT ( dm 3
)
0.082 mol K (273 + 50 )K
atm L

= y A = (0.5)( 12 1) = 0.25

FAo X 1 + X
W 2

Combine/solve: 0 dW = kC 2Ao 0 1 X dX
o (1+ ) X
2
W= 2 (1 + ) ln (1 X ) + X +
2

kC Ao 1 X
(150 )( ) 2( 0.25)(0.75) ln(0.10) + ( 0.25) (0.9) + (0.75) (0.9)
dm 3 1 min 2
W=
(0.1 )(0.11 )
min 60 s 2
dm 6

0 .1
mol
mol kg cat s dm 3

W = 2640 kg catalyst

D.A. Rockstraw, Ph.D., P.E.