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2019 ◽  
Vol 296 ◽  
pp. 111788
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Mahdieh Pazirofteh ◽  
Mostafa Dehghani ◽  
Saber Niazi ◽  
Amir H. Mohammadi ◽  
Morteza Asghari
Keyword(s):  
Molecular Dynamics ◽  
Monte Carlo ◽  
Molecular Dynamics Simulation ◽  
Structural Properties ◽  
Monte Carlo Study ◽  
Dynamics Simulation

Molecular Dynamics Simulation of Transport and Structural Properties of CO2 Using Different Molecular Models

2015 ◽  
Vol 60 (8) ◽  
pp. 2188-2196 ◽  
Author(s):  
Haimin Zhong ◽  
Shuhui Lai ◽  
Jinyang Wang ◽  
Wenda Qiu ◽  
Hans-Dietrich Lüdemann ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Structural Properties ◽  
Dynamics Simulation ◽  
Molecular Models

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.

scholarly journals Thermodynamics and structural properties of CaO: A molecular dynamics simulation study

2020 ◽  
Vol 152 (8) ◽  
pp. 084503 ◽  
Author(s):  
Cecilia M. S. Alvares ◽  
Guillaume Deffrennes ◽  
Alexander Pisch ◽  
Noël Jakse
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Structural Properties ◽  
Simulation Study ◽  
Dynamics Simulation
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