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What is Self-Diffusivity in Zeolite Mixtures about?

This document presents a model for predicting self-diffusivities in multicomponent mixtures in zeolites. The model is based on Maxwell-Stefan diffusion formulations and accounts for correlation effects using particle-particle exchange coefficients. The model is verified by comparing predictions to kinetic Monte Carlo simulations, molecular dynamics simulations, and experimental data from previous studies of various binary and ternary mixtures in zeolites. The goal is to develop a general approach for estima

Author

Fernando Amores

Language

EN