CHG 801 (Advanced Chemical Engineering Analysis)

GROUP ASSIGNMENT II, Apr 2024 (2023-2024 Session)

You are to answer all questions. Your solution reports are to be typed with an attestation page to be signed by all
members of the Group. The report (in MS Word format) should include all your solutions as Sections, and as a
minimum, should also contain an Executive Summary, an Introduction, Description of how each problem was solved,
any challenges encountered and how these where overcome, Methods and Result Export into your Report, Discussion
and Validation of Results, what you learned and Conclusion. It is expected that your main report will not be more
than 30pages with all supplementary/supporting materials placed in appropriate Appendices.
LATE SUBMISSIONS SHALL BE PENALISED BY DEDUCTION OF 10% FOR EACH DAY BEHIND THE
DEADLINE.
Notes:
1. For any solution with spreadsheets, please use only Microsoft Excel. For any solution requiring programming,
please use Scilab or Matlab
2. Marks will be specially awarded for assumptions, logical development of solutions and presentation.
3. You must include all your spreadsheets, programs, results and computer-generated plots where required.
4. For each problem, add your Group Name to the Excel or SCILAB/Matlab files i.e. for Question by Group 1, name
your file as: AssII_Grp1_Q1_2023-2024. Create a file folder named CHG801-Grp X-AssII and put all the files
(including the report) in it. X is your group number.
5. E-copy of the assignment (MS Word Format or PDF formats only), plus any programs and other support files, by
each team, is to be uploaded as a single zipped file via the following Google form link not later than 10.00hrs on
Monday, 29 Apr 2024, after which the link will close:

https://forms.gle/44pn46V4rz177Jj16
6. Groups are free to discuss each question and solution approach with other Groups. However, each group is expected
to carry out the required work and computer calculations independently. COPYING THE REPORTS,
COMPUTER FILES OR RESULTS OF OTHER GROUPS WILL BE SEVERELY PENALISED.
7. It is expected that each group will use available video conference technologies (Zoom, Google Meet, Microsoft
Teams, WebEx, etc. all of which have some no-fee subscription services) for live communications to facilitate
completion of the assignments.

SUBMISSION DEADLINE & GRADING INPUT.

Grading Input for Participation in Teamwork
This has been introduced to engender the spirit of Teamwork in tackling the assignment.
Your report should include a Section describing succinctly the roles/contribution of each member such as
conceptual/formulation of the solution, programming/computing tasks, Results analysis, interpretation and discussion,
writing of executive summary/conclusions, layout/typing of the report, leadership and team coordination. On the basis
of these, each Team member is expected to score every other Team member and also score himself or herself. You
need to be honest and candid with yourselves in awarding this score to ensure no one in your Team reaps where he or
she has not sowed. Where everyone has contributed equally, I expected to see that reflected in the average of the
individual scores. Where someone has not contributed at all or has only contributed very little, do not be shy in awarding
a score to reflect this. and should be entered via the following Google form link:

Self and peer assessment input for participation in Teamwork is confidential and should be done using the google form
in this link:
https://forms.gle/s2J39GYgxhLSaZgd6
You will need to complete and submit the google form for the number of members in your group, including the self-
assessment. This form will automatically close to receiving responses by 12.00hrs on Monday, 29 Apr 2024 so be
well guided.

Class Rep/Deputy to collect the Hardcopy of the assignment from each team and deliver them to my office by 11.00hrs
on the submission date Monday, 29 Apr 2024.

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CHG 801 (Advanced Chemical Engineering Analysis)
GROUP ASSIGNMENT II, Apr 2024 (2023-2024 Session)

Question 1
Consider the following batch chemical system

The time evolution of the system is given according to the following model equations:

Question 2
We wish to simulate the concentrations of species A, B, and C in a constant-volume batch chemical
reactor with isomerization kinetics.

(a) Before proceeding to study this problem numerically, derive an analytical solution that can be
used for checking the global truncation error of different numerical methods
(b) Develop a Scilab program to simulate the system to obtain the concentration of species A, B
and C in the constant volume batch reactor with isomerization. Report state trajectories for the
three concentrations from t= 0 to t=10 for step lengths of 0.0001, 0.001, 0.01, 0.1, 1, and 10
using the Explicit Euler, Implicit Euler and the Runge-Kutta 4th order methods.
(c) Use the analytical solutions to compute the absolute and relative errors in each of your
numerical solutions above at time t= step length and t= 10 for each value of the step length
considered. Plot the local truncation errors versus the value of time step size on a loglog plot to
determine the observed order of accuracy. Comment on your observations.

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CHG 801 (Advanced Chemical Engineering Analysis)
GROUP ASSIGNMENT II, Apr 2024 (2023-2024 Session)
Question 3.

Note that you do not know all 4 initial conditions, so you will need to guess the missing initial
conditions, and then iteratively improve them until the solution satisfies the other boundary
conditions. This is the shooting method. You need to combine an algebraic equation solver together
with a numerical ODE-IVP solver to tackle this problem.
(a)

analytical solution,
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CHG 801 (Advanced Chemical Engineering Analysis)
GROUP ASSIGNMENT II, Apr 2024 (2023-2024 Session)
(b)

(c )

from (a). Why are they different?

Solve this problem using an appropriate numerical ODE solver, and determine plots of T and
dT/dr versus r.

Question 4

Given the following linear ODE-IVP:

Where y0 = [0.7071 0.7071]T.

(a) Compute the analytical solution to the ODE-IVP to determine y and hence plot y versus t for a
range of t value from t=0 to tmax.

(b) What are the qualitative observations for A, B, and C matrices? Justify the difference in the
observed response. Relate the qualitative results to the eigenvalues and eigenvectors of the
three matrices.
(c) Compute the singular values and hence the condition numbers for each of the matrices above.
Comment on your results.
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CHG 801 (Advanced Chemical Engineering Analysis)
GROUP ASSIGNMENT II, Apr 2024 (2023-2024 Session)
Question 5
Consider a continuous stirred tank reactor (CSTR) with exothermic reaction. The heat generated on
reaction is removed from the system using a cooling jacket. The system is shown below:

The overall model for the CSTR includes mass balance

and energy balances for the reactor and cooling jacket.
The resulting model equations are given below:

Where the reaction rate is given by:

The values of various parameters are given in Table below:

Model Parameters and Operating Conditions for Jacketed CSTR

(a) Solve the transient nonlinear CSTR problem for inlet temperature 350 K. Initially, at t = 0, the
concentration within the CSTR is 0.1 mol/L, the CSTR temperature is 600 K and cooling jacket
temperature is 500 K. Plot how the three variables change with time. What are the final steady-
state values of the three variables? What is the final time when this was achieved?
(b) At the end of the final time to attain steady-state in (a), the inlet temperature of the CSTR is
changed to 298 K. Determine the dynamic response of the three variables to this step change.
(c) Compare the results you obtained in (a) and (b) and comment.

Question 6.
The model of a bioreactor with Monod kinetics model for the growth of the microorganism is
given by the following:

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CHG 801 (Advanced Chemical Engineering Analysis)
GROUP ASSIGNMENT II, Apr 2024 (2023-2024 Session)

Where the Monod kinetics model for the growth of the microorganism is given by:

where [S] and [X] are substrate and biomass concentrations, respectively. The rate constant μmax is
the maximum growth rate and KS is the saturation constant. At large substrate concentration, when
[S] ≫ KS, the growth rate is zero-order in substrate concentration; whereas when [S] falls
substantially, the growth rate becomes first-order in substrate concentration.
The rate constants are given as μmax = 0.5, KS = 0.25, Yxs = 0.75, and Yps = 0.65.
(a)
Determine the dynamic response behavior of the bioreactor for feed concentration of Sf = 5g/mL
and dilution rate of D = 0.1 h-1. The bioreactor initially has 5g/mL of the substrate, and inoculant
is added to that initial [X] = 0.02.
(b) Repeat your simulation with KS = 0.005

Question 7

Question 8

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CHG 801 (Advanced Chemical Engineering Analysis)
GROUP ASSIGNMENT II, Apr 2024 (2023-2024 Session)