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The steam methane reforming ( SMR ) reaction is commonly used to produce hydrogen: C H 4 + 2 H 2 O h a r

The steam methane reforming (SMR) reaction is commonly used to produce hydrogen:
CH4+2H2OharrCO2+4H2
The reaction occurs at high temperatures, so you can assume that all species are in the gas phase.
The real reaction typically takes place over a NiAl2O3 catalyst and is extremely complex to
model ?1, but here we will greatly simplify it while using numbers from the real reaction wherever
possible. In this problem, you will assume the reaction is in a batch reactor and use a
combination of materials balances, rate laws, and numerical integration of differential equations
to evaluate the conversion water to hydrogen via the water-gas shift reaction. You will work with
partial pressures and can assume that the total pressure has been included in the rate constants.
Assume that the reaction occurs reversibly, with a forward rate constant of kf=0.32atm-2
**min-1, and a reverse rate constant of kr=0.001atm-4**min-1 and the reaction order of
each species corresponds to its stoichiometric coefficient. Use initial partial pressures of
pCH4=pH2O=0.5, and pCO2=pH2=0. Derive all relevant equations and numerically solve
the resulting initial value problem to plot the pressures of H2O and H2 from t=0 to 60
minutes. You should use the most accurate built-in solver available (e.g. ODE 45 in
Matlab, solve_ivp in Python) for this part of problem.
a. Setup: Derive equations, place them in standard form, and indicate initial
conditions.
b. Results: A single plot with curves for each partial pressure.
c. Analysis: Briefly discuss the observed behavior.
Repeat problem 1 with Euler's method. You should use a write a code that executes
Euler's method and create a "convergence plot" that shows the error at t=60min as a
function of step size. The convergence plot should have at least 5 different step sizes and
reach a percent error (100**|ptrue-pEuler|ptrue) of 0.01% or lower.
a. Setup: Provide the equations for Euler's method and use them to manually solve
for one time step.
b. Results: A single plot with at least 5 points connected by a line.
c. Analysis: Briefly discuss the time requirements for Euler's method as a function
of step size and as compared to ODE45.
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