Molecular dynamics simulation of dense carbon dioxide fluid on amorphous silica surfaces

2006 ◽  
Vol 297 (1) ◽  
pp. 38-44 ◽  
Author(s):  
Xiaoning Yang ◽  
Zhijun Xu ◽  
Cuijuan Zhang
Keyword(s):  
Carbon Dioxide ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Amorphous Silica ◽  
Dynamics Simulation ◽  
Silica Surfaces ◽  
Dense Carbon Dioxide

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.

scholarly journals Synergistic Adsorption of Polyaromatic Compounds on Silica Surfaces Studied by Molecular Dynamics Simulation

2018 ◽  
Vol 122 (8) ◽  
pp. 4290-4299 ◽  
Author(s):  
Yong Xiong ◽  
Zhen Li ◽  
Tiantian Cao ◽  
Shengming Xu ◽  
Shiling Yuan ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation ◽  
Silica Surfaces
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