Application of Free Energy Calculations at an Ultrahigh Temperature for Estimation of Molecular Diffusivities and Permeabilities in Zeolite Nanopores at an Ambient Temperature-Reference-Cited by-同舟云学术

Application of Free Energy Calculations at an Ultrahigh Temperature for Estimation of Molecular Diffusivities and Permeabilities in Zeolite Nanopores at an Ambient Temperature

Published:2009-09-17 Issue:40 Volume:113 Page:13313-13321
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Nagumo Ryo¹,Takaba Hiromitsu¹,Nakao Shin-ichi¹

Affiliation:

1. Department of Chemical System Engineering, The University of Tokyo, 7-3-1 Hongo Bunkyo-ku, Tokyo 113-8656, Japan, and Department of Chemical Engineering, Tohoku University, 6-6-11-1302 Aoba Aramaki Aoba-ku, Sendai 980-8579, Japan

Publisher

American Chemical Society (ACS)

Subject

Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp905328w

Reference53 articles.

1. Multicomponent surface diffusion of adsorbed species: a description based on the generalized Maxwell—Stefan equations

2. Problems and pitfalls in the use of the fick formulation for intraparticle diffusion

3. Towards a molecular understanding of shape selectivity

4. Molecular Simulations of Zeolites: Adsorption, Diffusion, and Shape Selectivity

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