Thermodynamic Modeling of Water-Gas Shift Reaction in Supercritical Water
Özet
Water gas shift reaction (WGSR) is one of the fundamental reactions which occurs during supercritical water gasification. A stoichiometric thermodynamic model is developed to estimate equilibrium composition of WGSR with reaction temperature, equilibrium constant and Gibbs free energy of reaction. The algorithm is based on Peng-Robinson Equation of State (PR-EoS) formulations and Gibbs free energy minimization. Molar fraction y(1) of each species present in equilibrium which is related to degree of reaction is determined using Matlab Software. Model predictions are compared with data found in literature and the agreement is generally satisfying and therefore the correctness of the proposed model is demonstrated.
