AIChE Journal, Vol.42, No.1, 204-213, 1996
Dynamics of Propene Metathesis - Physisorption and Diffusion in Heterogeneous Catalysis
Simultaneous effects of physisorption, diffusion, and reaction were characterized by dynamic experiments for propene metathesis over rhenium oxide/gamma-alumina catalyst in a Berty reactor. Single-component sorption isotherms from steady-state experiments for ethene, propene, and 2-butene were used to predict multicomponent physisorption by the ideal adsorbed solution theory. Effective diffusivities were determined from molecular, Knudsen, and surface-diffusion coefficients, including bimodal pore-size effect and tortuosity factors. Transient sorption diffusion experiments were conducted with inactivated catalysts. The reaction rate expression, derived from elementary steps of carbene mechanism, was identified by solving the inverse problem with step test data. The direct problem was solved by orthogonal collocation within the method of lines. Model predictions agreed with responses from dynamic experiments carried out under conditions different from those used for estimating model parameters.
Keywords:KINETICS