Thermodynamic Modeling of Water-Gas Shift Reaction in Supercritical Water

Demirel E., Azcan N.

World Congress on Engineering and Computer Science, San-Francisco, Costa Rica, 24 - 26 October 2012, pp.804-807 identifier identifier

  • Publication Type: Conference Paper / Full Text
  • City: San-Francisco
  • Country: Costa Rica
  • Page Numbers: pp.804-807
  • Keywords: gasification, thermodynamic modeling, supercritical water, water-gas shift reaction
  • Anadolu University Affiliated: Yes


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.