INDIAN INSTITUTE OF TECHNOLOGY GUWAHATI

Department of Chemical Engineering

CL 208 – Chemical Reaction Engineering-I
Tutorial-02 Date:02/02/2024 Marks:25
1. In the following two problems a continuous stream of fluid enters a vessel at
temperature 𝑇0 and pressure 𝑃0 , reacts there, and leaves at 𝑇 and 𝑃.
a) Given a gaseous feed, 𝑇0 = 400 𝐾, 𝑃0 = 4 𝑎𝑡𝑚, 𝐶𝐴0 = 100, 𝐶𝐵0 = 200,
𝐴 + 𝐵 → 2𝑅,𝑇 = 300 𝐾, 𝑃 = 3 𝑎𝑡𝑚,𝐶𝐴 = 20.𝐹𝑖𝑛𝑑 𝑋𝐴 , 𝑋𝐵 , 𝐶𝐵 .
b) Given a gaseous feed, 𝑇0 = 1000 𝐾, 𝑃0 = 5 𝑎𝑡𝑚, 𝐶𝐴0 = 100, 𝐶𝐵0 = 200,
𝐴 + 𝐵 → 5𝑅,𝑇 = 400 𝐾, 𝑃 = 4 𝑎𝑡𝑚,𝐶𝐴 = 20.𝐹𝑖𝑛𝑑 𝑋𝐴 , 𝑋𝐵 , 𝐶𝐵 . [ 2+3]

Solution: a) Since number of moles unchanged, 𝜀A = 𝜀B = 0

For varying P, T, density,

𝐶 𝑇𝑃
1 − 𝐶 𝐴 (𝑇 𝑃0 )
𝐴0 0
𝑋𝐴 =
𝐶𝐴 𝑇𝑃0
1 + 𝜀A 𝐶 (𝑇 𝑃)
𝐴0 0
𝐶𝐴 𝑇𝑃0
𝑋𝐴 = 1 − ( )
𝐶𝐴0 𝑇0 𝑃
20 300 × 4
𝑋𝐴 = 1 − ( ) = 0.8
100 400 × 3
𝐶𝐵0 𝑏
𝐶𝐵 𝐶 − 𝑎 𝑋𝐴 𝑇0 𝑃
= 𝐴0 ( )
𝐶𝐴0 1 + 𝜀A ( 𝑋𝐴 ) 𝑇𝑃0
𝐶𝐵 = 120
𝑋𝐵 = 0.4

𝐛) 𝜀A = 1

𝜀B = 2
For varying P, T, density,
𝐶 𝑇𝑃
1 − 𝐶 𝐴 (𝑇 𝑃0 )
𝐴0 0
𝑋𝐴 =
𝐶𝐴 𝑇𝑃0
1 + 𝜀A 𝐶 (𝑇 𝑃)
𝐴0 0
20 400 × 5
1 − 100 (1000 × 4)
𝑋𝐴 =
20 400 × 5
1 + 100 (1000 × 4)
 𝑋𝐴 = 0.8181
𝐶𝐵0 𝑏
𝐶𝐵 𝐶 − 𝑎 𝑋𝐴 𝑇0 𝑃
= 𝐴0 ( )
𝐶𝐴0 1 + 𝜀A ( 𝑋𝐴 ) 𝑇𝑃0
200
𝐶𝐵 − 0.818181 1000 × 4
= 100 ( )
100 1 + (0.818181) 400 × 5
𝐶𝐵 = 130
𝐶𝐴0 𝑋𝐴 0.8181
𝑋𝐵 = = 100 × = 0.409
𝐶𝐵0 200
2. A homogenous gas reaction 𝐴 → 3𝑅 has reported rate at 215 ℃

−𝑟𝐴 = 10−2 𝐶𝐴0.5 𝑚𝑜𝑙𝐿−1 𝑠 −1

Find the space-time needed for 80 % conversion of 50 % A and 50 % inert feed to a

𝑚𝑜𝑙
plug flow reactor operating at 215 ℃ and 5 atm. (Given:𝐶𝐴𝑜 = 0.0625 𝐿
) [6]

Solution: For this stoichiometry and with 50% inerts, two volumes of feed gas would give
4−2
four volumes of completely converted product gas; thus 𝜀A = = 1 in which case the plug
2

flow performance equation becomes

1/2
𝑋𝐴𝑓
𝑑𝑋𝐴 𝑋𝐴𝑓
𝑑𝑋𝐴 𝐶𝐴0 0.8 1 + 𝑋𝐴 1/2
𝜏 = 𝐶𝐴 ∫ = 𝐶𝐴 ∫ 1 = ∫ ( ) 𝑑𝑋𝐴
0 −𝑟𝐴 0 2 1 − 𝑋𝐴 1/2 𝑘 0 1 − 𝑋𝐴
𝑘𝐶𝐴0 ⋅( )
1 + 𝜀𝐴 𝑋𝐴

The integral can be evaluated in any one of three ways: graphically, numerically, or
analytically. Let us illustrate these methods.

1 + 𝑋A 1 + 𝑋A 1/2
𝑋A ( )
1 − 𝑋A 1 − 𝑋A

0 1 1

1.2
0.2 = 1.5 1.227
0.8

0.4 2.3 1.528

0.6 4 2

0.8 9 3
Graphical Integration. First evaluate the function to be integrated at selected values and plot
this function.
Counting squares or estimating by eye we find

0.8 1+𝑋 1/2

Area= ∫0 (1−𝑋𝐴) 𝑑𝑋𝐴 = (1.70)(0.8) = 1.36
𝐴

Numerical Integration. Using Simpson's rule, applicable to an even number of uniformly

spaced intervals on the 𝑋A axis, we find for the data of Table

0.8
1 + 𝑋𝐴 1/2
∫ ( ) 𝑑𝑋𝐴 = (𝑎𝑣𝑒𝑟𝑎𝑔𝑒 ℎ𝑒𝑖𝑔ℎ𝑡)(𝑡𝑜𝑡𝑎𝑙 𝑤𝑖𝑑𝑡ℎ)
0 1 − 𝑋𝐴

(1(1)+4(1.227)+2(1.528)+4(2)+1(3))
=[ ] (0.8)=1.331
12

Analytical Integration. From a table of integrals

0.8
1 + 𝑋𝐴 1/2 0.8
1 + 𝑋𝐴
∫ ( ) 𝑑𝑋𝐴 = ∫ ( ) 𝑑𝑋𝐴
0 1 − 𝑋𝐴 0 √1 − 𝑋𝐴2

0.8
=[(arc sin𝑋𝐴 − √1 − 𝑋𝐴2 ) ] = 1.328
0

The method of integration recommended depends on the situation. In this problem probably
the numerical method is the quickest and simplest and gives a good enough answer for most
purposes.

So, with the integral evaluated, becomes

1
0.0625𝑚𝑜𝑙 2
( )
𝜏= 𝑙𝑖𝑡𝑒𝑟 ⋅ (1.33) = 33.2 sec
1
−2
10 𝑚𝑜𝑙 2
1
𝑙𝑖𝑡𝑒𝑟 2 . 𝑠𝑒𝑐

3. An aqueous feed of A and B (400 𝑙𝑖𝑡𝑒𝑟/𝑚𝑖𝑛, 100 𝑚𝑚𝑜𝑙 𝐴/𝑙𝑖𝑡𝑒𝑟, 200 𝑚𝑚𝑜𝑙 𝐵/𝑙𝑖𝑡𝑒𝑟)
is to be converted to product in a plug flow reactor. The kinetics of the reaction is
represented by
𝐴+𝐵 →𝑅 −𝑟𝐴 = 200𝐶𝐴 𝐶𝐵 𝑚𝑜𝑙𝐿−1 𝑚𝑖𝑛−1
 Find the volume of reactor needed for 99.9% conversion of A to product. [5]

Solution: Given that CAO =100 𝑚𝑚𝑜𝑙/𝑙𝑖𝑡𝑒𝑟, CBO = 200 𝑚𝑚𝑜𝑙/𝑙𝑖𝑡𝑒𝑟, 𝑣 = 400𝑙𝑖𝑡𝑒𝑟/𝑚𝑖𝑛 and
XA = 0.999

−𝑟𝐴 = 200𝐶𝐴 𝐶𝐵 𝑚𝑜𝑙

For the 2nd order reaction,

𝑀−𝑋
Ko 𝜏CAO (M-1) = ln(𝑀(1−𝑋𝐴 )) Eqn-1
𝐴
𝐶 200
Where M= 𝐶𝐵0 = 100 = 2
𝐴0

Replacing all the values in Eqn-1:

𝟐−0.999
(200) 𝜏(0.1) (2-1) = ln(𝟐(𝟏−0.999))

𝜏 = 0.31 minute
Therefore, volume of reactor V

V= 𝜏⋅v = 0.31(400) =124 liter.

4. A gas of pure A at 830 kPa (8.2 atm) enters a reactor with a volumetric flow rate, 𝑣0 ,
of 2 𝑑𝑚3 /𝑠 at 500 K. Calculate the entering concentration of A, 𝐶𝐴0 and the entering
molar flow rate 𝐹𝐴0 . [4]
𝑃𝐴0 𝑦𝐴0 𝑃0
Solution: For an ideal gas, 𝐶𝐴𝑜 = =
𝑅𝑇0 𝑅𝑇0

𝑃0 = 830 𝑘𝑃𝑎 (8.2 𝑎𝑡𝑚)

𝑦𝐴0 = 1(𝑝𝑢𝑟𝑒 𝐴)

𝑇0 = 500 𝐾

𝑘𝑃𝑎
𝑅 = 8.314 𝑑𝑚3 .
𝑚𝑜𝑙. 𝐾
(1)(830𝑘𝑃𝑎)
Hence, 𝐶𝐴𝑜 = 𝑘𝑃𝑎 = 0.20 𝑚𝑜𝑙/𝑑𝑚3
(8.314 𝑑𝑚3 . )(500𝐾)
𝑚𝑜𝑙.𝐾

𝑚𝑜𝑙
𝐹𝐴𝑜 = 𝐶𝐴0 𝑣0 = (0.20 𝑑𝑚3 )( 2 𝑑𝑚3 /𝑠) = 0.4 𝑚𝑜𝑙/𝑠

5. One liter per minute of liquid containing A and B(𝐶A0 = 0.10 mol/liter, 𝐶B0 =
0.01 mol/ liter) flow into a mixed reactor of volume 𝑉 = 1 liter. The materials react in
a complex manner for which the stoichiometry is unknown. The outlet stream from the
reactor contains A, B, and C(𝐶A𝑓 = 0.02 mol/liter, 𝐶B𝑓 = 0.03 mol/liter, 𝐶Cf =
 0.04 mol/liter). Find the rate of reaction of A, B, and C for the conditions within the
reactor.

Solution
For a liquid in a mixed flow reactor 𝜀A = 0

Therefore, the rate of disappearance:

𝐶A0 − 𝐶A 𝐶A0 − 𝐶A 0.10 − 0.02

−𝑟A = = = = 0.08 mol/liter ⋅ min
𝜏 𝑉/𝑣 1/1
𝐶B0 − 𝐶B 0.01 − 0.03
−𝑟B = = = −0.02 mol/liter ⋅ min
𝜏 1
𝐶C0 − 𝐶C 0 − 0.04
−𝑟C = = = −0.04 mol/liter ⋅ min
𝜏 1

Thus A is disappearing while B and C are being formed.