Predicting Thermodynamic Stability of Clathrate Hydrates Based on Molecular-Dynamics Simulations and Its Confirmation by Phase-Equilibrium Measurements

2007 ◽  
Vol 111 (9) ◽  
pp. 3799-3802 ◽  
Author(s):  
Tatsuya Miyoshi ◽  
Ryo Ohmura ◽  
Kenji Yasuoka
Keyword(s):  
Molecular Dynamics ◽  
Phase Equilibrium ◽  
Molecular Dynamics Simulations ◽  
Thermodynamic Stability ◽  
Clathrate Hydrates ◽  
Dynamics Simulations

scholarly journals Molecular dynamics simulations of the formation of ethane clathrate hydrates

2016 ◽  
Vol 413 ◽  
pp. 229-234 ◽  
Author(s):  
Daniel T. Wilson ◽  
Brian C. Barnes ◽  
David T. Wu ◽  
Amadeu K. Sum
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Clathrate Hydrates ◽  
Dynamics Simulations

Thermodynamics of linear and star polymers at fluid interfaces

Soft Matter ◽  
2015 ◽  
Vol 11 (1) ◽  
pp. 81-93 ◽  
Author(s):  
Tseden Taddese ◽  
Paola Carbone ◽  
David L. Cheung
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Thermodynamic Stability ◽  
Structural Changes ◽  
Star Polymers ◽  
Model Systems ◽  
Fluid Interfaces ◽  
Dynamics Simulations

Performing molecular dynamics simulations on model systems we study the structural changes and thermodynamic stability of polymers of varying topology (linear and star-shaped) at interface between two liquids.

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