A Modified Gibbs Free Energy Minimisation Model for Fluid Bed Coal Gasification

A modified approach to equilibrium modelling of coal gasification is presented, based on global thermodynamic analysis of both homogeneous and heterogeneous reactions occurring during a gasification process conducted in a circulating fluid bed reactor. The model is based on large-scale experiments (ca. 200 kg/h) with air used as a gasification agent and introduces empirical modifications governing the quasi-equilibrium state of two reactions: water-gas shift and Boudouard reaction. The model predicts the formation of the eight key gaseous species: CO, CO2, H2O, H2, H2S, N2, COS and CH4, volatile hydrocarbons represented by propane and benzene, tar represented by naphthalene, and char containing the five elements C, H, O, N, S and inorganic matter.