Effect of cage-specific occupancy on the dissociation rate of a three-phase coexistence methane hydrate system: A molecular dynamics simulation study

2018 ◽  
Vol 55 ◽  
pp. 235-242 ◽  
Author(s):  
Zhixue Sun ◽  
Haoxuan Wang ◽  
Jun Yao ◽  
Zhilei Sun ◽  
Kelvin Bongole ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Simulation Study ◽  
Methane Hydrate ◽  
Dissociation Rate ◽  
Phase Coexistence ◽  
Dynamics Simulation ◽  
System A ◽  
Three Phase

Molecular Dynamics Simulation Study of N 2 /CO 2 Displacement Process of Methane Hydrate

2020 ◽  
Vol 5 (44) ◽  
pp. 13936-13950
Author(s):  
Weili Song ◽  
Xiaoliang Sun ◽  
Guanggang Zhou ◽  
Wenqi Huang ◽  
Guiwu Lu ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Simulation Study ◽  
Methane Hydrate ◽  
Dynamics Simulation

The influence of a type III antifreeze protein and its mutants on methane hydrate adsorption–inhibition: a molecular dynamics simulation study

2019 ◽  
Vol 21 (39) ◽  
pp. 21836-21846 ◽  
Author(s):  
Mitra Maddah ◽  
Mina Maddah ◽  
Kiana Peyvandi
Keyword(s):  
Molecular Dynamics ◽  
Amino Acids ◽  
Molecular Dynamics Simulation ◽  
Hydrogen Bonds ◽  
Simulation Study ◽  
Methane Hydrate ◽  
Hydrophobic Interactions ◽  
Dynamics Simulation ◽  
Antifreeze Activity ◽  
Adsorption Inhibition

Antifreeze proteins inhibit hydrate growth by hydrophobic interactions in cooperation with hydrogen bonds. Mutation of three polar amino acids (Asn14, Thr18, and Gln44) elucidates the molecular mechanism of AFP III antifreeze activity.

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.

scholarly journals Molecular dynamics simulation of CO2hydrates: Prediction of three phase coexistence line

2015 ◽  
Vol 142 (12) ◽  
pp. 124505 ◽  
Author(s):  
J. M. Míguez ◽  
M. M. Conde ◽  
J.-P. Torré ◽  
F. J. Blas ◽  
M. M. Piñeiro ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Phase Coexistence ◽  
Dynamics Simulation ◽  
Three Phase ◽  
Coexistence Line
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