2.

Consider the following 2 liquid-phase reactions taking place in parallel:

For a feeding stream containing only the reagent A, determine the concentrations of this reagent
according to the following models:

a) Ideal CSTR.
Balance of moles in a CSTR reactor, considering stable stable and that the concentration of any
species at the outlet is identical to the concentration at all points within the reactor, the following
expression is obtained:

F A 0−F A +r A V =0(2.1)
Solving for the reactor volume:
F A−F A 0
V= (2.2)
rA
The concentration ratio is used for a flow reactor:
FA
C A= ( 2.3 )
v0
Replacing in equation 2.2 we have:

( C ¿ ¿ A−C A 0)v 0
V= (2.4)¿
rA
reaction rates for species A:
−r 1 A r 1 B
= (2.5)
−1 1
r 1 A =−r B (2.6)
−r 2 A
=2 r 2 C (2.7)
−1
r 2 A =−2 r C (2.8)
Total reaction rate

r A =r 1 A +r 2 A (2.9)
Replacing equations 2.6 and 2.8 in 2.9, we have:

r A =−r B−2 r C (2.10)

Using the expressions given in the statement, replacing it in equation 2.10 gives:

r A =−k 1 C 2A−2 k 2 C A (2.11)

Taking into account the relationship for the residence time in a CSTR reactor.
V
τ= (2.12)
v0
From equation 2.12, solve for V and replace it in expression 2.4.

(C ¿ ¿ A−C A 0 )v 0
τ∗v0 = (2.13) ¿
rA
Replacing 2.11 in 2.13 we have.

(C ¿ ¿ A−C A 0 )
τ= 2
(2.14)¿
−k 1 C A −2 k 2 C A

solving for C A:

mol
C A=0.661
L

b) Ideal PFR.
Design equation for a PFR.
d FA
=r A (2.15)
dV
The concentration ratio is used for a flow reactor:
FA
C A= ( 2.16)
v0
By replacing 2.16 in the expression 2.15 we get.
v0 d C A
=r A (2.17)
dV
The same reaction rate is used for species A found in numeral a.

r A =−k 1 C 2A−2 k 2 C A (2.18)

Taking into account the relationship for the residence time in a PFR reactor.
V
τ= (2.19)
v0
Replacing expressions 2.18 and 2.19 in 2.17, we have.
v0 d C A 2
=−k 1 C A −2 k 2 C A ( 2.20 )
v 0 dτ
The final expression is obtained:
dCA 2
=−k 1 C A −2 k 2 C A ( 2.21 )
dτ
Solving the Differential Equation for C A Concentration Using Polymath:

mol
C A=0.182
L

c) Completely segregated flow with an E(t) identical to that obtained with a model of tanks in
series for n = 2.
mole balance:
dCA
=r A (2.22 )
dt
The same reaction rate is used for species A found in numeral a.

r A =−k 1 C 2A−2 k 2 C A ( 2.23 )

model of tanks in series:
−t
t n−1 τ
E ( t )= n
e (2.24)
i

( n−1 ) ! τ i

We have the following expression for τ i

τ
τ i = (2.25)
n
It is known from the statement data that n = 2 and t = 1, replacing these values in equation 2.25 and
using this expression in equation 2.24, we have the following:

E ( t )=4∗t∗e−2t (2.26)
We have the following equation for the concentration of each species in multiple reactions.

d C´ A
=C A (t )E ( t ) (2.27)
dt
Solve the differential equation 2.27 using polymath
According to the results of the tables, it can be said that although the concentration varies over time,
by not giving us this time interval, two different values were assigned, starting from zero and
reaching up to 15 s and another up to 25 s, noting that in both cases the concentration does not vary
significantly, for which we obtain a concentration value:
mol
C´ A=0. 328
L

d) Maximum mixedness model with the same E(t) used in the previous part (𝜆 → 𝛼 ∴ 𝜆𝛼 =
10𝜏)
Taking into account the maximum mixing model:
dCA E ( λ)
=−r A + ( C A−C A 0 ) (2.28)
dλ 1−f ( λ )
The same reaction rate is used for species A found in numeral a.

r A =−k 1 C 2A−2 k 2 C A (2.29)

The same function is used for E found in the numeral C, we must change t to λ and using the values
of n = 2 and τ = 1.
−t
t n−1 τ
E ( t )= n
e (2.30)
i

( n−1 ) ! τ i
By rearranging and replacing the above you get.
−2 λ
λ 2−1 1
E ( λ)= e (2.31)
1 2
( 2−1 )() 2

E ( λ ) =4∗λ∗e−2 λ ( 2.32 )
An equation is used that relates F ( λ ) and E ( λ )

F ( λ)
=E ( λ )( 2.33)
dλ
Since the limits of λ are at the beginning a maximum value and at the end it is zero, for this it is
proposed to make a change of variable with the aim of having an initial value less than the final
value. we have the following:

B=10−λ → λ=10−B ( 2.34 )

When λ is a maximum and a minimum.

dCA E (10−B )
=−r A + ( C A−C A 0 ) (2.35)
dB 1−F ( 10−B )
dCA E (B )
=r A −( C A −C A 0 ) (2.36)
dB 1−F ( B )

E ( B )=4∗( 10−B )∗e−2∗(10−B ) (2.37)

F ( 10−B )
=E ( 10−B ) ( 2.38)
dy
F (B )
=−E ( B ) (2.39)
dB
Solve the differential equation 2.36 and 2.39 using polymath.

Solving the system of equations it is obtained that for the concentration is C A.

mol
C A=0.4616
L
e) For the four previous cases, also determine the concentration of B, its yield and selectivity.
Ideal CSTR.
For the concentration of B, its respective reaction rate is found and then using the expression 2.12
for the residence time it is related to the volume of the reactor and we have the following:

r B=k 1 C 2A (2.40)

(C ¿ ¿ B−C B 0) v 0
τ= ( 2.41 ) ¿
r B∗v 0

(C ¿ ¿ B−C B 0)
τ= (2.42)¿
rB
C B 0=0 (2.43 )

CB
τ= (2.44)
k 1 C 2A

To find the concentration of B, use the values of numeral a, of τ of k1 and the concentration of C A
= 0.661 mol/L. Using solver:
mol
C B=1.31
L
Instant performance:
rB
Y B= ( 2.45 )
−r A

k 1 C2A
Y B= ( 2.46 )
k 1 C 2A +2 k 2 C A
Since all the values of the previous expression are known, the performance in the CSTR reactor is
calculated.

Y B =0.71
Selectivity:
rB
S B/ C = ( 2.47)
rC

k 1 C2A k 1 C A
S B/ C = = ( 2.48 )
k2 C A k2
Solving to find the selectivity we have.
S B/ C =4.957

Ideal PFR.
Design equation for the concentration of B.
d CB
=r B (2.49)
dτ
Reaction rate for species B.

r B=k 1 C 2A ( 2.50 )
replacing 2.50 in 2.49 gives:
d CB 2
=k 1 C A (2.51)
dτ
C B 0=0 (2.52 )
The polymath code of numeral B is used, making the respective modifications.

The concentration of B observing the results is:

mol
C B=1.833
L
Instant performance:

k 1 C2A
Y B= ( 2.53 )
k 1 C 2A +2 k 2 C A
Once the values are known, the performance in the PFR reactor is calculated, taking into account
mol
that C A=0.1823
L
Y B =0.406
Selectivity:
rB
S B/ C = (2.54)
rC

k 1 C2A k 1 C A
S B/ C = = ( 2.55 )
k2 C A k2
S B/ C =1.367

Tanks in series.
You have the following balance.
d CB
=r B ( 2.56 )
dt
Reaction rate for species B.

r B=k 1 C 2A (2.57)
We have the following equation for the concentration of each species in multiple reactions.

d C´ B
=C B ( t ) E ( t )( 2.58 )
dt
The polymath code used in numeral C is used, with its respective modifications.
It follows that for the concentration of C´ B=¿ and C´ A is:

mol
C´ B=¿1.735
L
mol
C´ A=0.328
L
Instant performance:

k 1 C2A
Y B= (2.59)
k 1 C 2A +2 k 2 C A

Y B =0.55
Selectivity:
k1 C A
S B/ C = (2.60)
k2
S B/ C =2.46
Maximum mixing model.
We have the following balances for the concentration of B.

d CB E ( 10−B )
=−r B + ( C B −C B 0 ) (2.61)
dB 1−F ( 10−B )
d CB E ( B)
=r B− ( C B−C B 0 ) ( 2.62)
dB 1−F ( B )
Reaction rate for species B.

r B=k 1 C 2A ( 2.63 )
Polymath is used with the data of numeral D their respective modifications.

The same C A concentration of numeral D is used.

mol
C A=0. 4616
L
Instant performance:

k 1 C2A
Y B= 2
(2.64)
k 1 C A +2 k 2 C A

Y B =0.63
Selectivity:
rB
S B/ C = (2.65)
rC
k1 C A
S B/ C = (2.66)
k2
S B/ C =3.462