Molecular Dynamics Study of SO2 Gas Adsorption in Two Y Zeolites: Effects of External Fields

2021 ◽  
pp. 103045
Author(s):  
Yalda Sabahi ◽  
Mohammad Razmkhah ◽  
Fatemeh Moosavi
Keyword(s):  
Molecular Dynamics ◽  
Gas Adsorption ◽  
External Fields ◽  
Y Zeolites ◽  
So2 Gas

Effects of electric field and biaxial strain on the (NO2, NO, O2, and SO2) gas adsorption properties of Sc2CO2 monolayer

2021 ◽  
pp. 107135
Author(s):  
Khang D. Pham ◽  
Pham Cong Dinh ◽  
Do Van Diep ◽  
Tuan V. Vu ◽  
Hai L. Luong ◽  
...  
Keyword(s):  
Electric Field ◽  
Gas Adsorption ◽  
Adsorption Properties ◽  
Biaxial Strain ◽  
So2 Gas

scholarly journals Chemo-mechanical coupling in kerogen gas adsorption/desorption

2018 ◽  
Vol 20 (18) ◽  
pp. 12390-12395 ◽  
Author(s):  
Tuan Anh Ho ◽  
Yifeng Wang ◽  
Louise J. Criscenti
Keyword(s):  
Molecular Dynamics ◽  
Monte Carlo ◽  
Molecular Dynamics Simulation ◽  
Simulation Study ◽  
Gas Adsorption ◽  
Dynamics Simulation ◽  
Hybrid Monte Carlo ◽  
Mechanical Coupling ◽  
Adsorption Desorption

Strong chemo-mechanical coupling in kerogen gas adsorption from a hybrid Monte Carlo/molecular dynamics simulation study.

Molecular dynamics simulation of gas adsorption on defected graphene

2013 ◽  
Vol 111 (24) ◽  
pp. 3726-3732 ◽  
Author(s):  
Maryam Kharatha ◽  
Aminollah Vaez ◽  
Amir Seyed Hasan Rozatian
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Gas Adsorption ◽  
Dynamics Simulation ◽  
Defected Graphene
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