Estimation of diffusion coefficient and permeance of aromatic molecules in silicalite and MgZSM-5 using quantum calculation and dynamic Monte Carlo simulation-Reference-Cited by-同舟云学术

Estimation of diffusion coefficient and permeance of aromatic molecules in silicalite and MgZSM-5 using quantum calculation and dynamic Monte Carlo simulation

Published:2004-05 Issue:1 Volume:219 Page:11-18
ISSN:0378-3812
Container-title:Fluid Phase Equilibria
language:en
Short-container-title:Fluid Phase Equilibria

Author:

Takaba Hiromitsu,Suzuki Takato,Nakao Shin-ichi

Publisher

Elsevier BV

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy,General Chemical Engineering

Reference28 articles.

1. Molecular Dynamics Simulations of Alkanes in the Zeolite Silicalite: Evidence for Resonant Diffusion Effects

2. Molecular dynamics studies of butane and hexane in silicalite

3. Predicting Single-Component Permeance through Macroscopic Zeolite Membranes from Atomistic Simulations

4. Estimation of Gas Permeability of a Zeolite Membrane, Based on a Molecular Simulation Technique and Permeation Model

5. Estimation of inorganic gas permeability through an MFI-type silicalite membrane by a molecular simulation technique combined with permeation theory

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