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The steam methane reforming ( SMR ) reaction is commonly used to produce hydrogen: CH 4 + 2 H 2 O CO 2 + 4
The steam methane reforming SMR reaction is commonly used to produce hydrogen:
CHHO COH
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 NiAlO catalyst and is extremely complex to
model 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 watergas 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 min and a reverse rate constant of kr min Assume that both reaction orders follow the law of mass action and use initial partial pressures of pCH pHO and pCOpH Derive all relevant equations and numerically solve the resulting initial value problem to plot the pressures of HO and H from t to minutes. You should use the most accurate builtin solver available eg ODE in Matlab, solveivp in Python
for this part of problem.
a Setup: Derive equations, place them in standard form, and indicate initial conditions
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