Molecular Simulation Study on Adsorption and Diffusion Behavior of Ethanol/Water Molecules in NaA Zeolite Crystal

2004 ◽  
Vol 37 (1) ◽  
pp. 67-74 ◽  
Author(s):  
Shin-ichi Furukawa ◽  
Keigo Goda ◽  
Yi Zhang ◽  
Tomoshige Nitta
Keyword(s):  
Molecular Simulation ◽  
Simulation Study ◽  
Water Molecules ◽  
Zeolite Crystal ◽  
Diffusion Behavior ◽  
Naa Zeolite ◽  
And Diffusion

Molecular dynamics simulation of carbon dioxide diffusion in NaA zeolite: assessment of surface effects and evaluation of bulk-like properties

2020 ◽  
Vol 22 (39) ◽  
pp. 22529-22536
Author(s):  
Sofia O. Slavova ◽  
Anastasia A. Sizova ◽  
Vladimir V. Sizov
Keyword(s):  
Carbon Dioxide ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Simulation Study ◽  
Surface Effects ◽  
Dynamics Simulation ◽  
Naa Zeolite ◽  
Lta Zeolite ◽  
And Diffusion ◽  
Diffusion Activation

Simulation study of surface effects and diffusion in CO2-loaded cationic LTA zeolite produced CO2 and Na+ diffusion activation energies.

A molecular simulation study of cavity size distributions and diffusion in para and meta isomers

Polymer ◽  
2005 ◽  
Vol 46 (21) ◽  
pp. 9155-9161 ◽  
Author(s):  
Xiao-Yan Wang ◽  
Pieter J. in 't Veld ◽  
Ying Lu ◽  
Benny D. Freeman ◽  
Isaac C. Sanchez
Keyword(s):  
Molecular Simulation ◽  
Simulation Study ◽  
Size Distributions ◽  
Cavity Size ◽  
And Diffusion

scholarly journals Molecular Simulation Study on Adsorption and Diffusion Behaviors of CO2/N2 in Lignite

ACS Omega ◽  
2020 ◽  
Vol 5 (45) ◽  
pp. 29416-29426
Author(s):  
Hongqing Zhu ◽  
Wei Wang ◽  
Yujia Huo ◽  
Xin He ◽  
Hongru Zhao ◽  
...  
Keyword(s):  
Molecular Simulation ◽  
Simulation Study ◽  
And Diffusion ◽  
Diffusion Behaviors
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