Mechanistic Kinetic Model for Biogas Dry Reforming

Abstract

A thermodynamically consistent mechanistic kinetic model for dry reforming of biogas/CH4 (DRM) is developed. Since reverse water gas shift (RWGS) reaction always occur alongside DRM, the overall rate is expressed in terms of individual rates of DRM and RWGS reactions. In order to identify the rate-limiting steps for the derivation of mechanistic kinetics, a microkinetic model is initially developed and validated against experimental measurements. Reaction rate analysis and partial equilibrium analysis are then performed on the microkinetic model to identify the rate-limiting steps. The parameters of the mechanistic kinetic model are estimated using a genetic algorithm. t statistic is performed to establish the confidence level of the estimated parameters. A brute-force sensitivity analysis is performed to identify the most sensitive parameters in the microkinetic model. The models are validated over wide ranges of conditions.