CHEE 4367 Chemical Reaction Engineering

Fall 2017
Homework #5, Due Wednesday October 18, 2017

Problem 1. A liquid-phase reaction occurs by the following elementary series reactions:

𝑘1 𝑘2
𝐴→ 𝐵→ 𝐶

The reaction is carried out in a 500-dm3 batch reactor. The initial concentration of species A is 1.6
mol/dm3. The desired product is species B and separation of the undesired product (species C) is very
difficult and costly. Because the reaction is carried out at a relatively high temperature, the reaction is
easily quenched. Answer questions a – g below given the following data of the process:

Cost of pure reactant A = $10/mol A

Selling price of pure B = $50/mol B
Separation cost of A from B = $50/mol A
Separation cost of C from B = = $30 ∙ {exp(0.5 ∙ 𝐶𝐶 ) − 1}
Reaction rate constants (@ 100°C): k1 = 0.4 h-1 k2 = 0.01 h-1

(a) Assuming that each reaction is irreversible, plot the concentrations of A, B, and C as a function of
time

(b) Calculate the time when the reaction should be quenched to achieve the maximum profit.

(c) For a CSTR at space time of 0.5 h, what temperature would you recommend to maximize B? (note
that EA1 = 10,000 cal/mol and EA2 = 20,000 cal/mol)

(d) Assume that the first reaction is reversible with k-1 = 0.3 h-1. Plot the concentrations of A, B, and C as
a function of time. (note; show your equations and all steps for calculations).

(e) Plot the concentrations of A, B, and C as a function of time for the case where both reactions are
reversible with k-2 = 0.005 h-1.

(f) Try varying the rate constants (k1, k2, k-1, and k-2) and explain the consequence of k1 > 100 and k2 <
0.01 for irreversible reactions (k-1 = k-2 = 0) and a reversible reaction (k-2 = 1 and k-1 = 0).

(g) Reconsider part (a) for reactions that are carried out in a packed bed reactor (PBR) with 100 kg of
catalyst for which k1 = 0.25dm3 kg(cat)-1 min-1 and k2 = 0.15dm3 kg(cat)-1 min-1. The flow is turbulent
with vo = 10 dm3 and CAo = 1 mol/dm3. It has been suggested to vary the particle size, keeping W =
100 kg, in order to increase the flow rate, overall yield and overall selectivity of species B. If the
catalyst particle size could be varied between 2 and 0.1 cm, what particle size would you choose? The
pressure drop parameter for particles 1 cm in diameter is  = 0.00098 kg-1. Is there a better way to
improve the selectivity?
Problem 2. Consider the following aqueous reactions:

𝑘1
𝐴+𝐵→ 𝑅 (𝑑𝑒𝑠𝑖𝑟𝑒𝑑) 𝑟𝑅 = 1.0𝐶𝐴1.5 𝐶𝐵0.3 , 𝑀/𝑚𝑖𝑛
𝑘2
𝐴+𝐵→ 𝑆 (𝑢𝑛𝑑𝑒𝑠𝑖𝑟𝑒𝑑) 𝑟𝑆 = 1.0𝐶𝐴0.5 𝐶𝐵1.8 , 𝑀/𝑚𝑖𝑛

You are asked to design a reactor that achieves 90% conversion of A given equal volumetric flow rates of
A and B streams are fed to the reactor, with each stream having a concentration of 20 mol/liter of
reactant. Calculate the concentration of the desired product, R, and overall yield for the following flow
reactors:

(a) Plug flow reactor

(b) Mixed flow reactor (i.e. CSTR)
(c) Plug flow reactor with reagent B added at regular intervals (similar to Fig 8-3f). Assume that B is
introduced into the reactor in such a way that CB = 1 mol/liter throughout.

Problem 3.

In chemical reactions the desired product is often accompanied by the production of a variety of undesired
materials, some of higher or lower order. Consider the simplest case with the following reactions with
corresponding rate law expressions (rj in units of M/min):

𝑘1
𝐴→ 𝑅 (𝑢𝑛𝑑𝑒𝑠𝑖𝑟𝑒𝑑) 𝑟𝑅 = 1.0
𝑘2
𝐴→ 𝑆 (𝑑𝑒𝑠𝑖𝑟𝑒𝑑) 𝑟𝑆 = 2𝐶𝐴

𝑘3
𝐴→ 𝑇 (𝑢𝑛𝑑𝑒𝑠𝑖𝑟𝑒𝑑) 𝑟𝑇 = 𝐶𝐴2

If the initial concentration of reactant is 2 mol/liter, find the maximum expected concentration of desired
product, S, for the following isothermal operations:

(a) Mixed flow reactor (i.e. CSTR)

(b) Plug flow reactor
(c) How would the answers to (a) and (b) change if the desired product is R? (Calculate the maximum
concentration for each reactor).