Week 7 Tutorial Chem R Eng 22-01-23
Week 7 Tutorial Chem R Eng 22-01-23
Week 7 Tutorial Chem R Eng 22-01-23
An irreversible reaction A → 3B ( 𝑟 = 𝑘𝐶𝐴 ) takes place in a batch reactor under a constant pressure of 1.8 atm
with an initial charge containing pure A. We notice that the volume then increases by 70% in 12 minutes.
1. Calculate the reaction rate constant.
2. If this reaction is at constant volume, what will be the time required to obtain a pressure of 2.5 atm if the
initial pressure is 1.8 atm?
Solution:
The number of moles of A in the reactor after a conversion X has been achieved is:
Rearranging:
𝑑𝑋
𝑑𝑡 = 𝑁𝐴0
−𝑟𝐴 𝑉
Substititing –rA by kCA:
𝑑𝑋 𝑑𝑋
𝑑𝑡 = 𝑁𝐴0 = 𝑁𝐴0
𝑘𝐶𝐴𝑉 𝑘𝑁𝐴
1 1
𝑡 = − [ln 1 − 𝑋 − ln(1)] = − ln(1 − 𝑋)
𝑘 𝑘
ln(1 − 𝑋)
𝑘=−
𝑡
From this equation ,we deduce the relation between the change in volume and the conversion corresponding to
time 𝑡𝑠 = 12𝑚𝑖𝑛
𝑇 𝑃
- Gas Phase: 𝑉 ′ = 𝑉0′ 1 + 𝜀𝑋 . .
𝑇0 𝑃0
𝑉 ′ = 𝑉0′ + 0,7𝑉0′
0,7
1,7 = 1 + 𝜀𝑋 𝑋= = 0,35
2
ln 1 − 0,35
𝑘=− = 0,0358 𝑚𝑖𝑛−1
12
2. If this reaction is at constant volume, what will be the time required to obtain a pressure of 2.5 atm if the
initial pressure is 1.8 atm?
In this case:
𝑃0
′
𝑉0 = 𝑉0′ 1 + 𝜀𝑋 .
𝑃
1 𝑃
𝑋= − 1 = 0,194
2 𝑃0
Solution
1. If performed in a CSTR of 1.8 L with CA0 =0.187mol/L. Calculate the conversion rate of A for a feed rate
FA0=0.5L/min. Assuming reaction is first order reaction in A.
A→2B
–rA = kCA , V=1,8 L, V’0=0.5 L/min, CA0 = 0,187 mol/L, k= 0.38 min-1
Let’s consider a first-order irreversible reaction for which the rate law is:
−𝑟𝐴 = 𝑘𝐶𝐴
For liquid-phase reactions, there is no volume change during the course of the reaction, so we can use the
following Equation to relate concentration and conversion (Stoichiometry):
𝐹𝐴 = 𝐹𝐴0 (1 − 𝑋)
𝐶𝐴 𝑉′ = 𝐶𝐴0 𝑉′(1 − 𝑋)
𝐶𝐴 𝑉′ = 𝐶𝐴0 𝑉′(1 − 𝑋)
𝐶𝐴 = 𝐶𝐴0 (1 − 𝑋)
In case of CSTR, the design equation is writtens as following:
𝐹𝐴0 𝑋
𝑉= 𝐶𝐴0 𝑉′𝑋 𝑉 𝐶𝐴0 𝑋
−𝑟𝐴 𝑉=
On the other hand: 𝜏= =
−𝑟𝐴 𝑉′ −𝑟𝐴
𝐹𝐴0 = 𝐶𝐴0 𝑉′
Rearranging:
𝜏𝑘 3,6 ∗ 0,38
𝑋= = = 0,577
1 + 𝜏𝑘 1 + 3,6 ∗ 0,38
A----------------------2B
t=0 CA0 0
tX CA0-XCA0 2CA0X
Then:
3. If this reaction is carried out in a PFR having the same volume and same flow rate as the SCTR:
a. Calculate the conversion rate of A as well as the molar flow rate of B at the exit of this PFR.
In case of PFR, the mole balance equation is written as following:
𝑑𝐹𝐴
𝑟𝐴 =
𝑑𝑉
We substitute FA by CA.V’:
𝑉′𝑑𝐶𝐴
𝑟𝐴 =
𝑑𝑉
Rearranging:
𝑉′𝑑𝐶𝐴
𝑑𝑉 =
𝑟𝐴
𝐶𝐴 𝐶𝐴0
𝑉′𝑑𝐶𝐴 𝑉′𝑑𝐶𝐴
න 𝑑𝑉 = න = න
𝑟𝐴 −𝑟𝐴
𝐶𝐴0 𝐶𝐴
𝐶𝐴0
𝑑𝐶𝐴
𝑉 = 𝑉′ න
−𝑟𝐴
𝐶𝐴
𝐶𝐴0
𝑉 𝑑𝐶𝐴
𝜏= = න
𝑉′ −𝑟𝐴
𝐶𝐴
We substitute -rA by k.CA:
𝐶𝐴0
𝑑𝐶𝐴
𝜏= න
𝑘𝐶𝐴
𝐶𝐴
1 𝐶𝐴0
𝜏= 𝑙𝑛
𝑘 𝐶𝐴
𝐶𝐴0
𝑒 𝑘𝜏 =
𝐶𝐴
𝐶𝐴 = 𝐶𝐴0 𝑒 −𝑘𝜏
Substituting CA by CA0(1-X):
𝐶𝐴0 (1 − 𝑋) = 𝐶𝐴0 𝑒 −𝑘𝜏
(1 − 𝑋) = 𝑒 −𝑘𝜏
𝑋 = 1 − 𝑒 −𝑘𝜏
𝑋 = 1 − 𝑒 −0,38∗3,6 = 0,745
𝐹𝐵 = 2𝐶𝐴0 𝑋𝑉 ′ = 2 ∗ 0,187 ∗ 0,745 ∗ 0,5 = 0,139 𝑚𝑜𝑙/𝑚𝑖𝑛
b. What feed volume flow rate should be chosen to obtain the same conversion of A as in the CSTR.
We know that:
(1 − 𝑋) = 𝑒 −𝑘𝜏
−𝑘𝜏 = ln(1 − 𝑋)
𝑉
−𝑘 = ln(1 − 𝑋)
𝑉′
𝑘𝑉
𝑉′ =−
ln(1 − 𝑋)
0,38 ∗ 1,8
𝑉′ =− = 0,79 𝐿
ln 1 − 0,577