Investigation of catalyst structure-performance relationship in dry reforming of methane by using lattice Boltzmann method

摘要

Catalyst design plays a core role in chemical engineering.In order to further enhance catalytic activity and inhibit carbon formation,the hierarchical structure-performance relationship has been investigated in dry reforming of methane(DRM).A modified random generation of macro-mesopores(RGMMP)algorithm was adopted to model the catalyst structure with macro-mesopore.Based on lattice Boltzmann method(LBM),the effects of hierarchical pore geometrical parameters,namely the catalyst porosity,the ratio of mesopore volume to macropore volume and the ratio of average macropore diameter to average mesopore diameter,on coke formation and catalytic performance were investigated to elucidate the deactivation and reaction-diffusion mechanism of the catalyst in DRM.The optimal values to define hierarchical pore structure have been identified,which provides maximum catalytic performance and coking resistance for a reaction condition.