Solutions to CN2116-JYL-2020-HW5

1)

S k1c A
From  ( ) 
A k0  k1c A  k2 c A2

(a) The instantaneous yield function plot is a bell-shaped curve with a maximum between
0<cA<cA0. Since the overall yield of S per mole of A reacted ( cS / (c A0  c A ) ) is the
mean of instantaneous yields (i.e.    ) in this concentration range, a CSTR
operating at the maximum of the instantaneous yield function would provide the
highest overall yield of S per mole of A reacted.

(b) The overall yield in this case is cS / c A0 and is higher if cS is higher. Since S is formed
in a 1st order reaction, a PFR and maximum conversion of A should be used for the
maximum production of S

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 rR cR
2) For CSTR:  ( R | A)  
 rA (c A0  c A )

The experiential data is used to generate the following Table:

cA0 cA cR n (R/A)
100 90 7 0.7
100 80 13 0.65
100 70 18 0.60
100 60 22 0.55
100 50 25 0.50
100 40 27 0.45
100 30 28 0.40
100 20 28 0.35
100 20 28 0.35
100 10 27 0.30
100 0 25 0.25

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The shape of the plot suggests that a PFR should be used to increase the yield of R. For
cA0 = 80, maximum yield per mole of A in the feed occurs at cAf = 0
80
c
 ( R | A0 )  R 
 0
 ( R / A)dcA
 0.45
c A0 cA0

3)

cR
a) What is when cA  0.5c A0 (cA0  cB 0  cD 0 ) ?
c R  cS

From overall mole balances of R and S respectively,

v 0 cR  rRV  k1c AcDV

v 0 cS  rSV  k2 cB cDV

cR k1c A
Dividing,  (1)
cR  cS k1c A  k2 cB
Need to find cB

From overall mole balances of B and A respectively,

v 0 (cB 0  cB )  rBV  k2 cB cDV

v 0 (c A0  c A )   rAV  k1cA cDV

c B 0  cB k 2 cB
Dividing,  (2)
cA0  c A k1c A

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Substituting cA0  cB 0 , c A  0.5c A0 , k2 / k1  0.2  cB  c A 0
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cR
With this value of cB and c A  0.5cA0 in equation (1)   0.75
c R  cS

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 cR
b) What is when cD  0.5cD 0 (c A0  cB 0  cD 0 ) ?
c R  cS

From overall mole balances of D and B respectively,

v 0 (cD 0  cD )  rDV  (k1c A cD  k2 cB cD )V

v 0 (cB 0  cB )  rBV  k2 cB cDV

cB 0  c B k 2 cB
Dividing,  (3)
cD 0  cD k1cA  k2 cB

However this equation contains 2 unknowns cB and cA. Another relationship between cA
and cB can be found from the stoichiometric table:

species in change out

A cA0 -α cA0 - α
B cB0 -β cB0 - β
D cD0 -α - β cD0 - α - β

 c A  cB  c A 0  cB 0  ( cD 0  cD )

With cA0  cB 0  cD 0 and cD  0.5cD 0  cA  cB  1.5c A0 (4)

Solving equations (3) and (4) simultaneously,  cA  0.612c A0 , cB  0.888cA0

cR
Back substitution into equation (1) gives  0.775
cR  cS

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4)

Adding the equilibrium reaction with a very large K could significantly reduce the
concentration of [P*], thereby suppressing both reactions (1) and (2). The inhibition of
reaction (2) would be greater because its bimolecular kinetics is more sensitive to the
concentration decrease in P*. Hence the selectivity to reaction (1) is improved by adding
the equilibrium reaction to the reaction system.

There will be no P* or D remaining at the end of reaction since the presence of

irreversible reactions (1) and (2) will destroy the equilibrium reaction (3).

At the end of reactions:

Inadequate M: Q, T and Z
Excess M: M, Q, T and Z

5) The reaction is

k1  6 k2 3
A   R  S k1  6 '
k2  4
or equivalently A   R  ( S , T )
k3 1
 T

with k2'  k2  k3  3  1  4

a) A PFR or a batch reactor would maximize the yield of R from A.

The following equations apply

cA
 e  k1
cA0
cR k '
 ' 1 (e k1  e  k2 )
cA0 k2  k1
k2'
cRmax k ' 6 4
 ( 1' ) k2  k1  ( ) 46  0.444
cA0 k2 4
ln(k2' / k1 ) ln(4 / 6)
 max    0.2027 hr
k2'  k1 46
cA
 e  k max  e60.2027  0.296
cA0
r dc kc k
Note also S  S  2 R  2  3  cs  3cT (cS 0  cT 0  0) (1)
rT dcT k3cR k3

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 c A cR c c
From stoichiometric table   S  T  1 (naturally constant density) (2)
c A0 c A0 c A0 c A0

cA c c c
The product composition is therefore  0.296, R  0.444, S  0.195, R  0.065
cA0 c A0 c A0 cA0

b) As S is an end product, it will be formed in any reactor with a sufficiently long space
time. Since all reactions are of positive orders, a PFR should be used to minimize the
reactor size

c A0  cSmax  cTmax
cSmax 3 cTmax 1
Since cs  3cT always (equation 1) →  , 
c A0 4 c A0 4
c 0.675
Now cS  0.9cSmax  0.9  0.75cA0  0.675cA0 → cT  S 
3 3

c A cR c c
Substituting this into   S  T  1 (equation 2) and using
c A0 c A0 c A0 c A0
cA c k '
 e  k1 , R  ' 1 (e  k1  e  k2 ) yields
cA0 c A0 k2  k1

k1 0.675
e  k1  (e  k1  e  ( k2  k3 ) )  0.675  1
k2  k3  k1 3
6 0.675
or e6  (e 6  e 4 )  0.675  1
3 1 6 3

Solving 0.10  2e 6  3e 4  0 using polymath gives   0.815 hr.