Learning objectives:

$1.$ Construct the model equations for the chemical engineering system.

$2.$ Use of suitable software to perform the numerical solution to a chemical engineering

problems.

v$.$ Aim:

To develop a comprehensive process model for a selected chemical reaction and

simulate the reaction using MATLAB to understand system behavior under various

conditions.

vi$.$ Task:

Step $1$: Selection of the Chemical Reaction

$1.$ Choose a Textbook: Select a suitable textbook that covers chemical reactions

typically used in chemical engineering. A good example could be "Chemical Reaction

Engineering" by Octave Levenspiel or "Elements of Chemical Reaction Engineering"

by H$.$ Scott Fogler.

$2.$ Select a Chemical Reaction: Pick a real chemical reaction from the textbook.

Examples might include the Haber process $($ammonia synthesis$),$ sulfuric acid

production, or esterification reactions.

$3.$ Capture the Reaction: take a screenshot or note down the reaction equation, along

with any relevant details like reaction conditions and kinetics mentioned.

Step $2$: Reactor Selection

$1.$ Reactor Type Selection: Choose the most appropriate reactor type based on the

reaction dynamics. Options might include:

$-$ Batch Reactor

$-$ Continuous Stirred Tank Reactor $($CSTR$)$

$-$ Plug Flow Reactor $($PFR$)$

$-$ Packed Bed Reactor

$2.$ Justification: Provide a rationale for the reactor choice, focusing on maximizing

reaction yield, controlling temperature, and handling any side reactions or phase

issues.

Step $3$: Modeling the System

$1.$ Develop Reaction Kinetics: Express the reaction rate$($s$)$ as a function of

concentration and temperature.

$2.$ Mass, Mole and Energy Balances: Write down the mass, mole and energy balance

equations for the reactor considering steady$-$state or dynamic conditions as

applicable.

$3.$ Incorporate Real$-$Life Constraints: Include factors such as heat transfer limitations$,$

pressure drops, and catalyst deactivation, if relevant.

Step $4$: Simulation in MATLAB

$1.$ MATLAB Setup: Outline the steps for setting up the model in MATLAB, including

initializing variables and setting up solvers.

$2.$ Coding: Write MATLAB code to solve the balance equations. Use built$-$in functions

and solvers like $`$ode$45`$ for differential equations.

$3.$ Simulation Runs: Conduct simulations, if relevant, to observe:

$-$ The effect of varying feed rates

$-$ Temperature changes

$-$ Pressure variations

$-$ Catalyst effectiveness over time

Step $5$: Results and Discussion

$1.$ Present Simulation Data: Use plots and graphs to represent how the system

responds to different operational parameters.

$2.$ Analysis: Discuss the stability, efficiency, and scalability of the reactor design based

on the simulation results.

Step $6$: Conclusion

Summarize the key findings from the modeling and simulation work and suggest future

directions for research or industrial application.

Submission Requirements

$1.$ Report: Compile the findings into a detailed report, including diagrams, reaction

details, MATLAB code, and outputs.