Diffusion of propane, propylene and isobutane in 13X zeolite by molecular dynamics

This paper presents single component diffusion data of propane, propylene and isobutane in zeolite 13X obtained by molecular dynamics (MD) simulations, especially its dependence on temperature and concentration. Our results are critically compared to experiments and previous simulation data, when av...

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Bibliographic Details
Main Author: Miguel A. Granato (author)
Other Authors: Miguel Jorge (author), Thijs J.H. Vlugt (author), Alírio E. Rodrigues (author)
Format: article
Language:eng
Published: 2010
Subjects:
Online Access:https://repositorio-aberto.up.pt/handle/10216/95631
Country:Portugal
Oai:oai:repositorio-aberto.up.pt:10216/95631