Abstract
AbstractDiffusion and reaction of large organic molecules in pillared clays, a new class of catalysts capable of converting gas oil into transportation fluids, is investigated. We first discuss some recent experimental data and point out the possible difficulties for obtaining accurate data. We, then, discuss a new model for describing diffusion and reaction of large organic molecules in pillared clays. The model employs stochastic and random walk concepts to model the diffusion process, and a dynamic Monte Carlo method for predicting various properties of interest, such as the effective diffusivity of the molecules.
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