Chapter 1

Exercise 1:

H2 H
C C + H2
H3C CH3 H3C CH2
propane (A) propylene (B) (C)

At equilibrium:

 X X  φ φ   P P 
K a = K x K φ K P =  B C   B C   tot tot  [1 atm]-1 (1)
 X A   φ A   Ptot 

Assuming ideal behavior,

PBo ⋅ PCo X B Ptot ⋅ X C Ptot X B X C

Ka = = = ⋅ Ptot (2)
PAo X A Ptot XA

XB = XC (3)

1 = X A + XB + XC (4)

Using equations (2), (3), and (4), solve for the three unknown mole fractions and find the
fractional conversion of propane at each temperature.

f A =1− X A (5)

Or an Alternate Solution:

Write a mole balance for the reaction.

(Where fA = fractional conversion of propane)

Initial Moles Change in Moles Final Moles

A nAo -nAo fA nAo (1 – fA)
B 0 nAo fA nAo (fA)
C 0 nAo fA nAo (fA)
Total nAo nAo fA nAo (1 + fA)

1.1
 Express the mole fraction of each species in terms of fA.

(Moles of A) n oA (1 − f A ) (1 − f A )
XA = = = (6)
(Total Moles) n oA (1 + f A ) (1 + f A )
fA
XB = (7)
1+ fA

fA
XC = (8)
1+ fA

Substitute equations (6), (7), and (8) into equation (2), above, and solve for fractional
conversion (fA).

f A2
K= ⋅ Ptot (9)
(1 + f A )(1 − f A )

@ 400o C @ 500o C @ 600o C

Conversion (fA) 0.0228 0.1012 0.3076

Exercise 2:

H2 H
C C
H3C CH3 + 1/2 O2 H3C CH2 + H2O
propane (A) (B) propene (C) (D)

Assume 100% conversion of propane at each temperature, because the equilibrium

constants are so high. A major impediment is the oxidation of propane to CO2 (not
shown).

1.2
Exercise 3:
1-butene (A)
H
H2C C

H2C CH3

k3 k1

k-3 k-1

CH3 k2
H H H
C CH C C

H3C H3C CH3

k-2 cis-2-butene (B)

trans-2-butene (C)

Part a)

Express the equilibrium constants for each step in terms of partial pressures.

PB
K a1 = K P1 = (1)
PA

PC
K a2 = K P2 = (2)
PB

PA PA PB
K a3 = K P3 = = ⋅ (3)
PC PB PC

Rewrite equation (3) in terms of K1 and K2.

1 1
K3 = ⋅ (4)
K P1 K P 2

Therefore, K3 = 0.108.

Part b)

Check the independence of the 3 reactions.

3
0 = ∑υ i ⋅ Ai For all 3 equations. (5)
i =1

1.3
 0   − 1 1 0   A 
0  =  0 − 1 1  ⋅  B  And Det(Matrix) = (−1⋅ −1) − (−1 ⋅1) = 0
     
0 − 1 0 1 C 

Therefore, all equations are not independent (i.e. only need 2 equations to solve).

Assuming a basis of 1 mole of 1-butene, write a mole balance for the system.

Initial Moles Change Final Moles

A 1 -ξ1-ξ3 1-ξ1-ξ3
B 0 ξ1 ξ1
C 0 ξ3 ξ3
Total 1 0 1

Rewrite equations (1) and (3) in terms of ξ1 and ξ2.

PB X B Ptot ξ1
K a1 = = = (6)
PA X A Ptot 1 − ξ 1 − ξ 3

PC ξ 3
K a3 = = (7)
PB ξ 1

Solving for ξ1 and ξ3 gives an equilibrium conversion of 1-butene = 0.932.

Mole fractions at equilibrium:

X1-butene = 0.068
Xcis-2-butene = 0.296
Xtrans-2-butene = 0.636

Exercise 4:

First, find K for each reaction from DGo, using equation (1), assuming ideal behavior.

− ∆G 0
ln( K ) = (1)
Rg ⋅ T

Reaction ∆G0 (kJ mol-1) K

1 14.85 0.078
2 10.42 0.167
3 15.06 0.075

1.4
Write a mole balance on the system of reactions, assuming a basis of 1 mole toluene.

Initial Moles Change Final Moles

Toluene (A) 1 -2ξ1-2ξ2-2ξ3 1-2ξ1-2ξ2-2ξ3
Ortho-Xylene (B) 0 ξ1 ξ1
Meta-Xylene (C) 0 ξ2 ξ2
Para-Xylene (D) 0 ξ3 ξ3
Benzene (E) 0 ξ1 + ξ2 + ξ3 ξ1 + ξ2 + ξ3
TOTAL 1 0 1

Express the equilibrium constants in terms of ξ1, ξ2, and ξ3.

XB ⋅ XE ξ 1 (ξ 1 + ξ 2 + ξ 3 )
K1 = = (2)
(X A) 2
(1 − 2ξ 1 − 2ξ 2 − 2ξ 3 ) 2

ξ 2 (ξ 1 + ξ 2 + ξ 3 )
K2 = (3)
(1 − 2ξ 1 − 2ξ 2 − 2ξ 3 ) 2

ξ 3 (ξ 1 + ξ 2 + ξ 3 )
K3 = (4)
(1 − 2ξ 1 − 2ξ 2 − 2ξ 3 ) 2

Solve for ξ1, ξ2, and ξ3 and calculate the equilibrium compositions of each species.

The equilibrium mole fractions are:

Toluene = 0.470
Ortho-Xylene = 0.065
Meta-Xylene = 0.138
Para-Xylene = 0.062
Benzene = 0.265

Since para-xylene has a smaller kinetic diameter than either ortho- or meta-xylene, a
shape selective catalyst that allows mostly para-xylene to diffuse out of it will shift the
product distribution.

Exercise 5:

Part a)

Assuming a basis of 1 mole of feed, write an overall mole balance.

1.5
 Initial Moles Change Final Moles
Acetylene (A) 0.5 -ξ1 0.5 – ξ1
HCl (B) 0.5 -ξ1 – ξ2 0.5 - ξ1 – ξ2
Vinyl Chloride (C) 0 ξ1 – ξ2 ξ1 – ξ2
1,2 Dichloroethane (D) 0 ξ2 ξ2
TOTAL 1 -ξ1 – ξ2 1 - ξ1 – ξ2

Express the equilibrium constants in terms of ξ1, ξ2, and ξ3.

For the reaction that forms vinyl chloride (C),

 X c   φ c   Ptot 
K a1 = K x1 K φ 1 K P1 =     [1 atm] (1)
 X A X B  φ A φ B   Ptot Ptot 

Assuming ideal behavior,

XC 1 (ξ 1 − ξ 2 )(1 − ξ 1 − ξ 2 ) 1
K a1 = ⋅ = ⋅ (2)
X A X B Ptot (0.5 − ξ 1 )(0.5 − ξ 1 − ξ 2 ) 5

Similarly for the reaction that forms 1,2 dichloroethane,

XD 1 ξ 2 (1 − ξ 1 − ξ 2 ) 1
K a2 = ⋅ = ⋅ (3)
X C X B Ptot (ξ 1 − ξ 2 )(0.5 − ξ 1 − ξ 2 ) 5

Solve for ξ1, ξ2, and ξ3 and calculate the equilibrium compositions of each species.

XAcetylene = 0.012
XHCl = 0.002
XVinyl chloride = 0.976
X1,2 Dichloroethane = 0.010

Find the fractional conversion of acetylene.

nA
f Aeq = 1 − = 0.988 (4)
n Ao

Part b)

Write another mole balance similar to part (a) but now add 9 moles of inert gas.

Initial Moles Change Final Moles

Acetylene (A) 0.5 -ξ1 0.5 – ξ1

1.6
HCl (B) 0.5 -ξ1 – ξ2 0.5 - ξ1 – ξ2
Vinyl Chloride (C) 0 ξ1 – ξ2 ξ1 – ξ2
1,2 Dichloroethane (D) 0 ξ2 ξ2
Inert Gas (I) 9 0 9
TOTAL 10 -ξ1 – ξ2 10 - ξ1 – ξ2

Express the equilibrium constants in terms of ξ1, ξ2, and ξ3.

XC 1 (ξ − ξ 2 )(10 − ξ 1 − ξ 2 ) 1
K a1 = ⋅ = 1 ⋅ (5)
X A X B Ptot (0.5 − ξ 1 )(0.5 − ξ 1 − ξ 2 ) 5

XD 1 ξ 2 (10 − ξ 1 − ξ 2 ) 1
K a2 = ⋅ = ⋅ (6)
X C X B Ptot (ξ 1 − ξ 2 )(0.5 − ξ 1 − ξ 2 ) 5

Solve for ξ1, ξ2, and ξ3 and calculate the equilibrium compositions of each species.

XAcetylene = 0.0014
XHCl = 0.0012
XVinyl Chloride = 0.0510
X1,2 Dichloroethane = 0.0002
XInert = 0.946

Find the fractional conversion of acetylene.

nA
f Aeq = 1 − = 0.974 (7)
n Ao

Exercise 6:

Write the rate expression for the 2-propanol (P) reaction, rearrange, and integrate.

dn P
= −k ⋅ nP (1)
dt
nP t
dn P
∫o nP ∫0 k ⋅ dt
= − (2)
nP

n 
ln Po  = − kt (3)
 nP 

1.7
 g Acetone n
Before plotting the data, convert to Po .
g Propanol nP

g a 60 g P 1mol a na
⋅ ⋅ = (4)
g P 1mol P 58 g a nP

 −1
na = nao +  (n P − n Po ) (5)
 1 

0.00000
ln(moles of 2-Propanol)

-0.00020
-0.00040 y = -8.39E-06x
2
-0.00060 R = 9.92E-01
-0.00080
-0.00100
-0.00120
-0.00140
-0.00160
0 50 100 150 200
Time (min)

The first order rate constant (k) is the negative of the slope = 8.39 x 10-6 min-1.

Exercise 7:

O
H3C O
H3C H
+ H
H3C H3C

DMB (A) Acrolein (B) 3,4-Dimethyl-∆3-tetrahydro-benzaldehyde (C)

Assuming constant volume, write the second order rate equation for DMB.

dC A
= −k ⋅ C AC B (1)
dt

Now find CB in terms of CA.

 −1
C B = C Bo +  (C A − C Ao ) And C Ao = C Bo (2)
 −1

1.8
Therefore, CB = CA.

Rewrite the rate equation (equation (1)) in terms of fA.

df A
− C Ao = −k (C Ao ) 2 (1 − f A ) 2 (3)
dt

fA t
df A
∫0 (1 − f A ) 2 = ∫o kC A ⋅ dt
o
(4)

Solve this integral

fA
= kC Ao t (5)
1− fA

fA
Finally, plot vs. time at each temperature and find slope, k C Ao .
1− fA

0.6
y = 0.0097x
2
0.5 R = 0.9963
T = 323 K
0.4 y = 0.0027x T=298 K
2
R = 0.9929 T = 278 K
0.3
fA /(1-fA )

0.2
y = 0.0003x
0.1 2
R = 0.9961

0
0 50 100 150 200 250
Time (hr)

Temperature (K) Rate Constant (L mol-1 hr-1)

323 0.100
298 0.028
278 0.0033

1.9
Exercise 8:

This reaction can be assumed to be of the form A 

→ Products.

Assuming the reaction to be 1st order, write the appropriate first order rate expression and
integrate.

dC A
= − kC A (3)
dt

C 
ln Ao  = − kt (4)
 CA 

C 
Now a plot of ln Ao  vs. time should be linear with a slope = -k.
 CA 
First Order

0
y = -0.0081x
ln (CA/CA )
o

-0.5 2
R = 0.9922
-1
-1.5
-2
0 50 100 150 200 250
time (min)

CA
Assuming is equivalent to relative absorbance, a plot of ln(relative adsorbance) vs.
C Ao
time should be linear with slope = -k.

The data appear first order with a rate constant, k = 0.0081 min-1. Analogous attempts to
fit zero and second order reaction rate experiments failed.

Exercise 9:

Express nA and nB in terms of fractional conversion of A (fA).

n A = n oA − n Ao ⋅ f A (1)
n B = n Bo − 2n Ao ⋅ f A (2)

1.10
 ni
For constant density (ρ), and constant volume (V), can be expressed as concentration
V
(Ci).

C A = C Ao − C Ao ⋅ f A (3)
o
C
C B = C Bo − 2C Ao ⋅ f A And B
o
= 3 so, (4)
CA

C B = C Ao (3 − 2 f A ) (5)

Substitute equations (3) and (5) into the given rate expression.

dC A d (C Ao − C Ao ⋅ f A ) df
= = −C Ao ⋅ A (6)
dt dt dt

2
df A kC A C B 2
= o
= kC Ao (1 − f A )(3 − 2 f A ) 2 (7)
dt CA

Separate variables and integrate.

0.5 10
df A o2
∫0 (1 − f A )(3 − 2 f A ) 2 = ∫0 kC A ⋅ dt (8)

Solving for the rate constant (k) gives k = 120 L2 mol-2 min-1.

Exercise 10:

Calculate the total moles of gas initially in the system for N2:H2:He = 3:1:0, assuming
ideal gas behavior.

 P298
o

o
P648 = T 
648 K 
K
 (1)
K
T 
 298 K 

P oV
o
ntot = = 0.013 mol (2)
Rg T o

Write a gas phase mole balance.

Initial Moles Change Final Moles

N2 9.75 x 10-3 -ξ(t) 9.75 x 10-3- ξ(t)
H2 3.25 x 10-3 -3ξ(t) 3.25 x 10-3- 3ξ(t)
He 0 0 0

1.11
 NH3 0 0 0
Total 0.013 -4ξ(t) 0.013 - 4ξ(t)

dPtot
Derive the rate expression using the ideal gas law and express the rate in terms of .
dt

dntot V  dPtot 
Ptot V = ntot R g T =   (3)
dt R g T  dt 

dntot dξ dn N 2 dξ
= −4 And =− (4)
dt dt dt dt

dξ dξ − V  dPtot 
Therefore, is the rate of reaction, and =  . (5)
dt dt 4 R g T  dt 

Plot Total Pressure vs. Time to find the rate of change in pressure (i.e. slope)

Rate of Change of Pressure

Determination 3:1:0

800
Total Pressure
(torr) at 298K

y = -1.9292x + 767.1
750 2
R = 0.9984
700

650
0 20 40 60
time (min)

dPtot
From the graph = -1.9292 torr min-1.
dt

dξ
Repeat the same process for the other gas ratios and solve for .
dt

Ratio dPtot dξ
(N2:H2:He) (torr min-1) (mol min-1)
dt dt
3:1:0 -1.9292 8.17 x 10-6
1:1:2 -0.8947 3.79 x 10-6
1:3:0 -0.5668 2.40 x 10-6

1.12
Write the Goldberg-Waage form of the rate equation and take the natural log of both
sides.

dξ
= k [N 2 ] [H 2 ]
α β
rate = (6)
dt

ln(rate) = ln(k ) + α ln[N 2 ] + β ln[H 2 ] (7)

To find α plot ln(rate) vs. ln[N2] at a constant [H2], where ln[N2] = ln[moles of N2].

rate moles N2 moles H2

-6
8.17 x 10 3 1
-6
3.79 x 10 1 1
-6
2.40 x 10 1 3

Constant H2

-11.6 y = 0.6992x - 12.483

2
-11.8 R =1
ln (rate)

-12
-12.2
-12.4
-12.6
0 0.2 0.4 0.6 0.8 1 1.2
ln (moles N2)

From the graph, α = slope. Similarly, find β by plotting ln(rate) vs. ln[H2] while holding
[N2] constant.

α = 0.70
β = -0.42

Therefore, the final rate expression is rate = k [N 2 ] [H 2 ]−0.42 .

0.70
Finally, find the rates of
ammonia synthesis for each ratio.

dn NH 3 dξ
=2 (8)
dt dt

Therefore,

1.13
 dn NH 3  mol 
 
N2:H2:He dt  gcat ⋅ min 
3:1:0 8.17 x 10-5
1:1:2 3.79 x 10-5
1:3:0 2.40 x 10-5

Exercise 11:

In Example 1.5.6 the following equations for tmax and CB are derived.

1 k k Co  k  C Bo 
2

t max = ⋅ ln  2 + 2 Bo −  2   (1)
k 2 − k1  k1 k1 C A  k1
o
 C A 

CB = C ⋅ e o
B
( − k 2t )
+
k1C Ao (− k1t )
k 2 − k1
e [
− e (− k 2t ) ] (2)

0
Assuming C Bo = 0 and k2 = k1, CB and t max = . Therefore, use L’Hopital’s rule to find
0
tmax and CB.

1
k1 1
lim t max = lim = (3)
k 2 → k1 k 2 → k1 k2 k1
k1

lim C B = lim k1C Ao t max ⋅ e ( − k 2tmax ) (4)

k 2 → k1 k 2 → k1

Substituting for tmax gives:

C Ao
C Bmax = (5)
e

Exercise 12:

Part a)

Assign rate constants, ki, to equations 1,2, and 3.

R + G →
k1
2R (1)
L + R → 2 L
k2
(2)

1.14
 L →
k3
D (3)

Derive rate equations for each equation.

r1 = k1C R C G (4)
r2 = k 2 C L C R (5)
r3 = k 3 C L (6)

Express the accumulation rate of each species in terms of the above rates.

dC R
= 2r1 − r1 − r2 (7)
dt
dC L
= 2r2 − r2 − r3 (8)
dt

Substituting equations (4), (5), and (6) gives:

dCR
= k1C R CG − k 2CLC R (9)
dt
dC L
= k 2 C L C R − k 3C L (10)
dt

Part b)

Solve differential equations using most convenient solver.

dC R
= CR − CRCL
dt C R (0) = 20
With initial conditions
dC L C L (0) = 1
= CRCL − CL
dt

1.15
 Lynxes

Rabbits
Population

Time

Exercise 13:

Write the rate expression for DEBA, assuming constant volume.

dC DEBA
r= = kC DEA C BB (1)
dt

Find CDEA and CBB in terms of CDEBA.

 − 1
C DEA = C DEA
o
+  (C DEBA − C DEBA
o
) (2)
 1 

 − 1
C BB = C BB
o
+  (C DEBA − C DEBA
o
) (3)
 1 

Substitute equations (2) and (3) into equation (1), using the initial conditions given for
1,4-butanediol and acetonitrile, respectively.

dC DEBA
= k (0.5 − C DEBA )(0.5 − C DEBA ) (4)
dt

dC DEBA
= k (1 − C DEBA )(0.1 − C DEBA ) (5)
dt

1.16
Rearrange equations (4) and (5), and integrate to find CDEBA as a function of time for each
solvent.

1,4-butanediol:

C DEBA t
dC DEBA
∫ 0 (0.5 − C DEBA ) 2 ∫0
= k ⋅ dt (6)

1
= kt + 2 (7)
(0.5 − C DEBA )

acetonitrile:

C DEBA t
dC DEBA
∫ 0
(1 − C DEBA )(0.1 − C DEBA ) ∫0
= k ⋅ dt (8)

 1 − C DEBA  9
ln  = kt (9)
 1 − 10C DEBA  10

Using equations (7) and (9), find the rate constant (k) for each solvent.

1,4-butanediol: k = 0.000212 L mol-1 min-1

acetonitrile k = 0.00160 L mol-1 min-1

Exercise 14:

Write the first order rate equation for variable volume, Equation 1.5.3,

dn A
= − kn A (1)
dt

nA
Rearrange and integrate equation (1) to find .
n oA

nA
dn A t
∫ n A = ∫0 k ⋅ dt (2)
no
A

nA
o
= e (− kt ) (3)
nA

1.17
 ntotal
Use the ideal gas law to derive an expression for o
.
ntotal

Ptot V n RT
o
= tot
o
(4)
PtotV ntot RT

ntot V .7V o + V o
o
= o = = 1.7 (5)
ntot V Vo

nA
Define the molar expansion factor and find .
n oA

 3 − 1
ε A = 1 ⋅  =2
 (6)
 − 1 

ntot nA
o
= 1 + 2 f A = 1.7 Where f A = 1 − (7)
ntot n Ao

nA
= 0.65 (8)
n oA

Solving for k in equation (3) gives k = 0.000598 sec-1.

ntotal
To find the time needed to raise the pressure from 1.8 atm to 2.5 atm, first find o
.
ntotal

ntot P 2.5
o
= o = = 1.389 (9)
ntot P 1.8

nA
Using the value from equation (9), find .
n oA

ntot
o
= 1 + ε A f A = 1.389 (10)
ntot

nA
= 0.8055 (11)
n oA

Solving for time (t) in equation (3) gives t = 361.7 s.

1.18
Exercise 15:

For the constant volume reactor, express equilibrium constant (K) in terms of
concentrations.

k1 CC
K= = (1)
k 2 C AC B

Write the mole balance for the reaction.

Initial Change Equilibrium

A 1 -ξ 1–ξ
B 2 -ξ 2–ξ
C 0 ξ ξ
Total 3 -ξ 3–ξ

Rewrite equation (1) in terms of ξ and pressure.

K = 2 Lmol −1 =
(ξ ) (2)
(1 − ξ )(2 − ξ )
Solving for ξ , gives ξ = 0.719 mol L-1.

Using the ideal gas law, find Ptoteq in terms of ξ.

PtoteqV = ntot
eq
RT (3)

eq
ntot RT
Ptoteq = = (3 − ξ ) RT (4)
V

Therefore,

Fractional conversion of A (fA) = 0.719

Final pressure ( Ptoteq ) = 56.2 atm

Write rate equation for species A.

dC A
rate = − = k1 C A C B − k 2 C C (5)
dt

1.19
Express all concentrations in terms of CA.

 − 1
C B = C Bo +  (C A − C Ao ) (6)
 − 1

 − 1
C C = C Co +  (C A − C Ao ) (7)
 1 

Substitute equations (6) and (7) into equation (5).

dC A
rate = − = k1C A (1 + C A ) − k 2 (1 − C A ) (8)
dt

Solve by hand or with a computer solver for each species and plot the composition of the
reactor versus time.

Prob 15

2.5
Concentration (mol / L)

1.5 A
B
1
C
0.5

0
0 0.2 0.4 0.6 0.8 1
Time (hr)

Exercise 16:

For the variable volume reactor, express equilibrium constant (K) in terms of mole
fractions and total pressure.

k1 XC 1
K= = ⋅ (1)
k 2 X A X B Ptot

1.20
Using the mole balance from Exercise 15, express equation (1) in terms of ξ and Ptot.

 ξ 
 
 3 − ξ 
K = 2 mol
L
= (2)
 1 − ξ  2 − ξ 
   ⋅ Ptot
 3 − ξ  3 − ξ 
Using the ideal gas law, the equilibrium constant can be rewritten as 0.08124 atm-1.

Again, use the ideal gas law to find Ptot and solve for ξ.

o
ntot RT
Ptot = = 73.85 atm (3)
Vo

ξ = 0.7681 (4)

Therefore, the equilibrium conversion of A = 0.7681.

Write the rate equation for species A.

1 dn A
rate = − = k1 C A C B − k 2 C C (5)
V dt

dn A k1 n A n B
rate = − = − k 2 nC (6)
dt V

Express V in terms of Vo and nA.

V = V o (1 + ε A f A ) (7)

1  −1  1 nA
εA =  =− And fA = 1− (8)
3  − 1  3 n Ao

2 1 
Therefore, V = V o  + n A  (9)
3 3 

Express nB and nC in terms of nA.

 −1
n B = n Bo +  (n A − n Ao ) = 1 + n A (10)
 −1

1.21
  −1
nC = nCo +  (n A − n oA ) = 1 − n A (11)
 1 

Substitute equations (9), (10), and (11) into equation (6).

dn A dn dn 3k n (1 + n A )
− = − B = C = 1o A − k 2 (1 − n A ) (12)
dt dt dt V (2 + n A )

Solve for each species by hand or with a computer solver and plot the composition of the
reactor and the volume versus time.

Problem 16

2.5
Concentration (mol / L)

2
A
1.5
B
1 C
0.5

0
0 0.2 0.4 0.6 0.8 1
Time (hr)

Problem 16

1.2
1
Volume (L)

0.8
0.6
0.4
0.2
0
0 0.2 0.4 0.6 0.8 1
Time (hr)

1.22
Exercise 17:

Write a new mole balance to account for the inert gas.

Initial Change Equilibrium

A 1 -ξ 1–ξ
B 2 -ξ 2–ξ
C 0 ξ ξ
Inert 3 0 3
Total 6 -ξ 6–ξ

Solve for ξ, using a modified form of equation (2) from Exercise 16.

 ξ 
 
 6 − ξ 
K = 0.08124 atm −1 = (1)
 1 − ξ  2 − ξ 
   ⋅ Ptot
 6 − ξ  6 − ξ 

Use the ideal gas law to find Ptot and solve for ξ.

o
ntot RT
Ptot = = 147.7 atm (2)
Vo

ξ = 0.7417 (3)

Therefore, the equilibrium conversion of A = 0.7417.

Write the rate equation for species A as done in Exercise 16.

dn A k1 n A n B
rate = − = − k 2 nC (4)
dt V

Express V in terms of Vo and nA.

V = V o (1 + ε A f A ) (5)

1  −1  1 nA
εA =  =− And fA = 1− (6)
6  − 1  6 n Ao

5 1 
Therefore, V = V o  + n A  (7)
6 6 

Express nB and nC in terms of nA.

1.23
  −1
n B = n Bo +  (n A − n Ao ) = 1 + n A (8)
 −1

 −1
nC = nCo +  (n A − n oA ) = 1 − n A (9)
 1 

Substitute equations (7), (8), and (9) into equation (4).

dn A dn dn 6k n (1 + n A )
− = − B = C = 1o A − k 2 (1 − n A ) (10)
dt dt dt V (5 + n A )

Solve for each species by hand or with a computer solver and plot the composition of the
reactor and the volume versus time.

Problem 17
Concentration (mol / L)

2.5
2
A
1.5
B
1
C
0.5
0
0 0.2 0.4 0.6 0.8 1
time (hr)

Problem 17

1.2
1
Volume (L)

0.8
0.6
0.4
0.2
0
0 0.2 0.4 0.6 0.8 1

Time (hr)

1.24