(75g) Predicting Thermodynamic Equilibrium Composition in Steam Methane Reforming Reaction by Iteration

Abstract: In this paper, we discuss methods to solve cubic equation both analytically and numerically and their application in the calculation of compressibility factor. This is also used in the calculation of fugacity coefficient for the thermodynamic equilibrium composition calculation of steam methane reforming and water gas shift reaction. Giving an initial set of value for different reactant components and by iteratively modifying the value of different components in steam methane reforming and water gas shift reaction and applying the mass balance rule, the equilibrium composition value of steam methane reforming for hydrogen production is obtained. The algorithm of this method will be presented and comparison with commercial software for modeling steam methane reforming and water-gas shift reactions shows our results match commercial results and this validates the algorithm.