Computational Methods in Chemical Engineering CHEE 390 - Project #5 ODE: Initial Value Problems
Computational Methods in Chemical Engineering CHEE 390
Project #5
ODE: Initial Value Problems
This computer project must be done using MATLAB®.
You must work independently!
Problem Statement
You are asked to compute the concentration vs. time for the following set of second-order reactions occurring in a laboratory:
k-1 k2
BAC
k1
k3
D
The rate constants k1, k2, k3 and k-1 are 0.03, 0.05, 0.02 and 0.01 L/(mol·min), respectively. The reactor is initially charged with 4 mole/L of component A, 2.5 moles/L of component B, 1 mole/L of component C and 0.5 moles/L of component D. Figure 1 is a plot of the results that you should obtain under these conditions.
Figure 1: Concentration vs. Time for components A, B, C and D
Solution Method & Program Capabilities
You must solve the above problem by implementing both implicit and explicit methods discussed in class. Specifically, Implicit Euler, Trapezoidal rule and Butcher's method. Your program must also have the following capabilities:
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Integrate both forwards and backwards.
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Locate the concentration of any species at a given time and report all other species at that
time.
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Locate the time and concentration of any species at the point that it has achieved it's
maximal or minimal value, if one exists. It also must report the values of all other species at
that instance.
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Compute the concentration of each species at steady-state.
