High-Accuracy Estimation of ‘Slow' Molecular Diffusion Rates in Zeolite Nanopores, Based on Free Energy Calculations at an Ultrahigh Temperature-Reference-Cited by-同舟云学术

High-Accuracy Estimation of ‘Slow' Molecular Diffusion Rates in Zeolite Nanopores, Based on Free Energy Calculations at an Ultrahigh Temperature

Published:2008-02-01 Issue:8 Volume:112 Page:2805-2811
ISSN:1932-7447
Container-title:The Journal of Physical Chemistry C
language:en
Short-container-title:J. Phys. Chem. C

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 Applied Chemistry, Tohoku University, 6-6-11-1302 Aoba Aramaki Aoba-ku, Sendai 980-8579, Japan

Publisher

American Chemical Society (ACS)

Subject

Surfaces, Coatings and Films,Physical and Theoretical Chemistry,General Energy,Electronic, Optical and Magnetic Materials

Link

https://pubs.acs.org/doi/pdf/10.1021/jp073250b

Reference38 articles.

1. Ordered porous materials for emerging applications

2. Dual Ensemble Monte Carlo Simulation of Pervaporation of an Ethanol/Water Binary Mixture in Silicalite Membrane Based on a Lennard-Jones Interaction Model

3. Non-Equilibrium Dynamic Monte Carlo Simulations on Methane and Ethylene Permeations through MFI-type Silicalite Membranes.

4. Application of integrated computational chemistry system to the design of inorganic membranes

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