Tecnológico de Monterrey

Design of Chemical Reactors

Module 2 – Multiple Reactions

Consider the following system of gas phase reactions:

𝐴 → 𝑋 𝑟𝑋 = 𝑘 1𝐶𝐴1/2 𝑘1 = 0.004 (mol/dm)1/2 · min

𝐴→𝐵 𝑟 𝐵 = 𝑘 2𝐶 𝐴 𝑘2 = 0.3 𝑚𝑖𝑛−1
𝐴→𝑌 𝑟 𝑌 = 𝑘 3𝐶 2 𝑑𝑚3
𝐴 𝑘3 = 0.25
𝑚𝑜𝑙 · 𝑚𝑖𝑛

B is the desired product, and X and Y are foul pollutants that are expensive to get rid of.
The specific reaction rates are at 27 ºC. The reaction system is to be operated at 27 ºC and 4
atm. Pure A enters the system at a volumetric flow rate of 10 dm3/min.

a) Sketch the instantaneous selectivities (SB/X, SB/Y, and SB/XY=rB/(rX+rY)) as a function

of the concentration of CA?
SB/X SB/Y SB/XY=rB/(rX+rY)
𝑆(B/X) = 𝑟𝐵 /𝑟𝑥 𝑆(B/Y) = 𝑟𝐵 /𝑟𝑦 𝑆(B/XY) = 𝑟𝐵 /𝑟𝑥 + 𝑟𝑦
𝑆B 𝑘2𝐶𝑎 𝑆B 𝑘2𝐶𝑎 𝑆B 𝑘2𝐶𝑎
= = =
X 𝐾1𝐶𝑎1/2 X 𝐾3𝐶𝑎2 X 𝐾3𝐶𝑎2 + 𝐾1𝐶𝑎1/2
(0.3𝑚𝑖𝑛 )𝐶𝑎1/2 (0.3𝑚𝑖𝑛−1 )𝐶𝑎 −1 (0.3𝑚𝑖𝑛 )𝐶𝑎1/2
𝑆𝐵 = 𝑚𝑜𝑙 1/2 𝑆𝐵 = 𝑑𝑚3 𝑆𝐵 = 1
𝑋 (0.004 𝑑𝑚3) ∗ 𝑚𝑖𝑛 𝑋 0.25 𝑚𝑜𝑙 ∗ 𝑚𝑖𝑛 𝑋 𝑑𝑚3 3 𝑚𝑜𝑙 2
(0.25 𝑚𝑜𝑙 ∗ 𝑚𝑖𝑛 ) 𝐶𝑎2 + (0.004 𝑑𝑚3) 𝑚𝑖𝑛
𝑆𝐵 = 1.2/𝐶𝑎
𝑆𝐵 = 75√𝐶𝑎 𝑋 75√𝐶𝑎
𝑋 𝑆𝐵 = /2
Unidades
Unidades 𝑋 1 + 63𝐶𝑎3
(𝑚𝑜𝑙 −1/2 𝑑𝑚3/2 )𝑚𝑖𝑛 −2 𝑚𝑜𝑙 𝑑𝑚3 Unidades
𝑚𝑜𝑙 𝑑𝑚3

Orlando Castilleja-Escobedo, M.Sc.

 b) Consider a series of reactors. What should be the volume of the first reactor?

Ca0
Cao (P/RT)
𝑃
𝐶𝑎0 =
𝑅𝑇
(4 𝑎𝑡𝑚)
Ca0 = 8.2𝑥10−3 𝑚3 𝑎𝑡𝑚 𝑚𝑜𝑙 −1 𝐾 −1 ∗ (27 ∗ 273.15)𝐾

Ca0 = 162.52
Ca0 = 0.1626
Unidades
(𝑚𝑜𝑙 𝑑𝑚3 )

Ca
1
0.3(𝐶𝑎2 )
yield = / /
(0.004) + (0.31 2 ) + (0.25 ∗ 𝐶𝑎3 2 )
1 1 1
−
0.3(𝐶𝑎2 )(0.15𝐶𝑎 2 + 0.35𝐶𝑎2
0= / /
(0.004) + (0.31 2 ) + (0.25 ∗ 𝐶𝑎3 2 )2
0.006
𝐶𝑎3/2 =
0.075
Ca = 0.008
Ca = 0.04
Unidades
Mol/L
Volume of the first reactor
Rate velocity
−𝑟𝐴 = 𝑟𝐵 + 𝑟𝑥 + 𝑟𝑦
1
= −𝐾1𝐶𝑎2 + 𝐾2𝐶𝑎 + 𝐾3𝐶𝑎2

Equation for Volume

𝑉 𝐶𝑎0 − 𝐶𝑎 𝑉 𝐶𝑎0 − 𝐶𝑎
= => = 1
𝑣𝑜 −𝑟𝐴 𝑣𝑜 −𝐾1𝐶𝑎2 + 𝐾2𝐶𝑎 + 𝐾3𝐶𝑎2
𝑉 0.1626 − 0.04
= 1
𝑣𝑜 𝑚𝑜𝑙 2 𝑑𝑚3
(0.004 (𝑑𝑚3) ∗ 𝑚𝑖𝑛) (√0.04 + 0.3 𝑚𝑖𝑛 − 1 )(0.04 + 0.25 𝑚𝑜𝑙 ∗ 𝑚𝑖𝑛 − 1)(0.042 )

𝑉 = 92. 4
Unidades
𝑑𝑚3

Orlando Castilleja-Escobedo, M.Sc.

 c) What are the effluent concentrations of A, B, X, and Y from the first reactor.

A, B, X, and Y
Ca = 0.04 mol/dm3
𝐶𝐵 −𝐶𝐵0
CB = 𝐾2𝐶𝑎 𝑚𝑎𝑥 = 0.11088 mol/dm3
𝐶𝑋 −𝐶𝑋0
CX = 𝐾1𝐶𝑎 𝑚𝑎𝑥1/2 = 0.0074 mol/dm3
𝐶𝑌 −𝐶𝑌0
CY = 𝐾3𝐶𝑎 𝑚𝑎𝑥2 = 0.0037 mol/dm3

d) What is the conversion of A in the first reactor?

XA = ?
𝑡 𝐶𝑎0 − 𝐶𝑎
=t= 1
𝐶𝑎0 𝐾1𝐶𝑎2 + 𝐾2𝐶𝑎 + 𝐾3𝐶𝑎2
0.1625 − 0.04
t= 1
(0.004 ∗ 0.042 ) + (0.3 ∗ 0.04) + (0.25 ∗ 0.042 )

V = 9.2803x10
V = 92.80
Unidades
dm3

e) If 99 % conversion of A is desired, what reaction scheme and reactor sizes should

you use to maximize SB/XY?
maximize SB/XY
𝐶𝑎
XA = 1 −
𝐶𝑎0
𝑚𝑜𝑙
(0.04 )
𝑑𝑚3
XA = 𝑚𝑜𝑙
0.1626 𝑑𝑚3

XA = 0.7539
XA = 75%

Orlando Castilleja-Escobedo, M.Sc.

 f) Suppose that E1=20,000 cal/mol, E2=10,000 cal/mol, and E3=30,000 cal/mol. What
temperature would you recommend for a single CSTR with a space time of 10 min
and an entering concentration of A of 0.1 mol/dm3?

TEMPERATURE
E1=20,000 cal/mol E2=10,000 cal/mol E3=30,000 cal/mol
(−𝐸 ) (−𝐸 ) (−𝐸 )
K1 = K 𝑅𝑇 K2 = K 𝑅𝑇 K3 = K 𝑅𝑇
𝑐𝑎𝑙 𝑐𝑎𝑙 𝑐𝑎𝑙
(−20000 ) (−10000 ) (−30000 )
𝑚𝑜𝑙 𝑚𝑜𝑙 𝑚𝑜𝑙
0.004 = K 2𝑘𝑐𝑎𝑙 ∗ 𝑚𝑜𝑙 ∗ 300𝐾 0.3 = K 2𝑘𝑐𝑎𝑙 ∗ 𝑚𝑜𝑙 ∗ 300𝐾 0.25 = K 2𝑘𝑐𝑎𝑙 ∗ 𝑚𝑜𝑙 ∗ 300𝐾

K1 = 1.178 x10 − 12 K2 = 5149265.77 K3 = 1.264x10 − 21

SPACE TIME
𝜏 𝑋𝑎
= 1
𝐶𝑎0 𝐾1𝐶𝑎 2 + 𝐾2𝐶𝑎 + 𝐾3𝐶𝑎2
10 𝑚𝑖𝑛
=
𝑚𝑜𝑙
0.1
𝑑𝑚3

0.999
1 1
(1.178𝑥10 − 12) (0.12 )(1 − 0.992 ) + (5149265.77 )(0.1)(1 − 0.99) + (1.264x10 − 21)(0.12 )(1 − 0.992 )
T = 460 K

Orlando Castilleja-Escobedo, M.Sc.

Sketch:

Orlando Castilleja-Escobedo, M.Sc.

Orlando Castilleja-Escobedo, M.Sc.