In Situ Methane Recovery and Carbon Dioxide Sequestration in Methane Hydrates: A Molecular Dynamics Simulation Study

2011 ◽  
Vol 115 (51) ◽  
pp. 15295-15302 ◽  
Author(s):  
Yen-Tien Tung ◽  
Li-Jen Chen ◽  
Yan-Ping Chen ◽  
Shiang-Tai Lin
Keyword(s):  
Carbon Dioxide ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Simulation Study ◽  
Carbon Dioxide Sequestration ◽  
Dynamics Simulation ◽  
Methane Hydrates ◽  
Methane Recovery

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.

Carbon dioxide induced bubble formation in a CH4–CO2–H2O ternary system: a molecular dynamics simulation study

2016 ◽  
Vol 18 (5) ◽  
pp. 3746-3754 ◽  
Author(s):  
K. S. Sujith ◽  
C. N. Ramachandran
Keyword(s):  
Carbon Dioxide ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Ternary System ◽  
Simulation Study ◽  
Bubble Formation ◽  
Dynamics Simulation ◽  
System A ◽  
Dynamics Simulations

The role of carbon dioxide in the formation of gas bubbles in a CH4–CO2–H2O ternary system is studied using molecular dynamics simulations.

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