CH-5010: Chemical Reactor Theory

July – Nov. 2023

Assignment – 5
Due Date: Monday, 30th October 2023

Problem 1: Analysis of a Series Reaction in a CSTR

Let us analyze reversible series reactions taking place in a steady-state CSTR:
𝐴⇌𝑃⇌𝑄
Let 𝑘! , 𝑘"! , 𝑘# and 𝑘"# be the reaction rate constants for the four first-order reactions. The CSTR is
operated at constant volume. The feed contains only A and the residence time is 𝜏 = 𝑉/𝑄.

1. If 𝐾! and 𝐾# are equilibrium constants of the two reactions, then show that:
𝑘 𝜏 𝑘 𝜏 (1)
𝐶$ -1 +!𝑘 𝜏0 -1 + 𝐾# 0
! #
=
𝐶%,'( 𝑘 𝜏 + -1 + 1 𝑘! 𝜏 0 -1 + 𝑘# 𝜏0
# 𝐾! 1 + 𝑘! 𝜏 𝐾#

2. The standard problem is when the two reactions are irreversible. Show that Eq. (1) reduces to the
)! *
familiar expression, 𝐶$ = (!,) *)(!,)
𝐶%,'( , if the two reactions are irreversible.
! " *)

3. Obtain CP if the first reaction is in partial equilibrium, i.e., 𝐶$ ≈ 𝐾! 𝐶% . Show that Eq. (1) reduces
to this expression when 𝑘! → ∞ and that 𝐾! is finite.

Problem 2: Design Optimization (From Prof. Preeti’s assignment)

Consider a batch reactor is used for the conversion of trypsinogen to trypsin:
𝐺 → 𝑇, 𝑟 = −𝑘𝐶. 𝐺/
Note that the reaction is second order, and it depends on both CG and CT.
⋆
4. If 𝐶.0 and 𝐶/0 are the initial concentrations, find the conversion 𝑋.,123 at which the reaction rate
is maximum.

5. Consider the reaction was carried out at two temperatures and following was the data:
⋆
T (K) 𝐶.0 (mol/L) 𝐶/0 (mol/L) 𝑡123 (hr)
293 0.65 0.62 2.4
310 0.05 0.08 0.434
Compute the rate constant k at each temperature. Hence compute the activation energy.

Problem 3: Semi-Batch Reactor

Nitration of toluene is highly exothermic reaction, where a mixture of concentrated nitric and
sulfuric acids (called nitrating mixture) is used. The reaction is carried out in a temperature-controlled
environment as it is highly exothermic (and the product, trinitro toluene or TNT, is an explosive).

CH-5010: Chemical Reactor Theory

 CH-5010: Chemical Reactor Theory
July – Nov. 2023
Consider a semi-batch reactor. The reactor consists of nitrating mixture in excess, and the
reaction is assumed to be first order in toluene. Let 𝑉0 be the initial volume of the reactor. Liquid
toluene (at concentration 𝐶/0 ) is added at a flowrate of 𝑄0 .

6. Derive the overall balances (volume and species balance for toluene) for the operation

7. Show that for isothermal operation, concentration of toluene at any time is:
:1 − 𝑒 ")5 <
𝐶/ = 𝐶/0 𝑄0
𝑘(𝑉0 + 𝑄𝑡)

8. The progress of reaction can be tracked by keeping the temperature constant and measuring the
amount of heat released (instead of concentration). If Δ𝐻 is the heat of reaction, find the rate at
which heat is taken away to ensure isothermal operation.

Problem 4: Plug Flow Reactor

The following liquid phase reaction is carried out in a PFR:
𝐴 → 𝑄, 𝑟 = 0.5 e"700// 𝐶% mol/l. s, (−Δ𝐻) = 100 kJ/mol
The flow rate at steady state is 0.1 liters/s and inlet temperature is 20 °𝐶. The inlet flowrate of 𝐴 is
𝐹%,9: = 0.2 mol/s and that of the inert solvent is 𝐹;,9: = 2 mol/s. The specific heats of the two
components are 𝑐<,% = 𝑐<,= = 200 J/mol. K and that of solvent is 𝑐<,; = 80 J/mol. K.

9. The liquid flash at 100 °𝐶. Compute the maximum conversion, 𝑋% , that can be obtained safely
(i.e., without the liquid flashing).

10. Compute the CSTR volume to achieve the same.

11. Next week’s DCF tutorial: Also compute the PFR volume to achieve the same.

CH-5010: Chemical Reactor Theory