ChE 125 Chemical Reaction Engineering I

DESIGN PROBLEM

2nd Semester AY 2014-2015

INSTRUCTIONS:
1.

The following are the deliverables for this Design Problem:

a) Write-up (soft copy)
b) MATLAB/MS EXCEL files (soft copy)

2.

The contents of the Write-Up are as follows:

a) Problem Title
Write an appropriate problem title at the top of the first page (centered).
b) Problem Statement
Summarize the problem statement (in paragraph form).
c)

Results and Discussion

Explain and show your complete solution, including derivations (if necessary) and equations used.
State ALL assumptions used. For problems involving iteration, include a table of values (NOT all
values). BOX your final answers.

d) Problems Encountered
Write a paragraph about the problems you have encountered in accomplishing this Design Problem.
It may involve the statement of the problem, difficulty of the problem, generation of codes, problems
with your groupmates, etc. Also, narrate how your group responded to these problems.
e) References
Make a list of references (books, internet sources, etc.) used to solve the problems.
f)

Appendix
Copy and paste your MATLAB code/s in this section (if applicable). Attach the Honor Code (see details
below) as part of the Appendix.

The write-up should be saved in a single pdf file with filename:

125DPwriteup_<surname of member 1>_<surname of member 2>_<surname of member 3>_<surname of
member 4 (if applicable)>
3.

Save all your MATLAB/MS EXCEL files in a single zip file with filename:
125DPfiles_<surname of member 1>_<surname of member 2>_<surname of member 3>_<surname of
member 4 (if applicable)>

4.

ONLY one member per group shall upload the pdf and zip files in our UVLE virtual class. Deadline of online
submission will be on June 4 (Th) at 12:00 PM. Late submissions will not be accepted for whatever reason.

5.

The Honor Code below should be re-typed in a separate paper:

HONOR CODE
As students who take pride and uphold the ideals of this University, we, ______<write the full names>______,
do hereby certify on our honor that we have derived no assistance during the time of this design problem
execution from anyone among our other classmates, especially in the conception and writing of solutions and
final answers. We further certify that none of our codes are shared to our classmates as well.

___________________________________
Signature over printed name

___________________________________
Signature over printed name

ChE 125 Chemical Reaction Engineering I

DESIGN PROBLEM

2nd Semester AY 2014-2015

PROBLEM STATEMENT:
A. A. Ushakov, V. I. Kosorotov, G. V. Motsarev, B. Y. Stul, and R. V. Dzhagatspanyan [Kinet. Catal., 20, 1208 (1979)]
reported values of rate constants at 80C [in m6/(kmol2ks)] for the competitive-consecutive reactions of chlorine with
benzotrifluoride (A):

k1 = 0.97

k6 = 0.06

k2 = 9.83

k7 = 0.48

k3 = 1.20

k8 = 1.37

k4 = 0.60

k9 = 0.26

k5 = 2.40

k10 = 1.10

The rate expressions for each of the reactions in question are third-order overall: first order with respect to the catalyst
(FeCl3), chlorine, and the aromatic reactant. None of the several product species is present in the feed to the reactor.
Assume that the initial concentrations of the aromatic reactant, chlorine, and catalyst are 1.0, 4.0, and 0.1 kmol/m3,
respectively.
a) Derive the dimensionless, reaction-based design equations for this system if the reactions are carried out
isothermally in a single PFR, and pressure drop is considered negligible.
b) Plot the species operating curves for this system. Superimpose the plot of each species present in the system.
c) Plot the yield of each monosubstituted product (B, C, and D) as a function of dimensionless space time. You
may superimpose the plots in a single figure, and comment on their behavior.
d) Perform a similar analysis and prepare plots describing the yields of the total monosubstituted (B + C + D)
and total disubstituted products (E + F + G + H) for reaction in a PFR. You may plot both types of product
distribution on the same figure.

ChE 125 Chemical Reaction Engineering I

DESIGN PROBLEM

2nd Semester AY 2014-2015

e) Repeat parts (a) to (d) for the case of a single CSTR.

f) What would be the best single continuous reactor to use in order to maximize the production of either B, C, or
D?
<To be answered by a group of 4 members>
g) It was proposed that the reactor be operated adiabatically since, in general, reaction rates increase with
increasing temperature. What would be your new recommendation for the best reactor or reactor system to
maximize the production of B, C, and D?

BONUS
Define LOVE using ChE 125 concepts. [individual description] ^__^

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