A molecular dynamics simulation study of the crystal–melt interfacial free energy and its anisotropy in the Cu–Ag–Au ternary system

2011 ◽  
Vol 327 (1) ◽  
pp. 227-232 ◽  
Author(s):  
A.A. Potter ◽  
J.J. Hoyt
Keyword(s):  
Molecular Dynamics ◽  
Free Energy ◽  
Molecular Dynamics Simulation ◽  
Ternary System ◽  
Simulation Study ◽  
Interfacial Free Energy ◽  
Dynamics Simulation

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.

Molecular dynamics simulation of the structure and interfacial free energy barriers of mixtures of ionic liquids and divalent salts near a graphene wall

2017 ◽  
Vol 19 (1) ◽  
pp. 846-853 ◽  
Author(s):  
Víctor Gómez-González ◽  
Borja Docampo-Álvarez ◽  
Trinidad Méndez-Morales ◽  
Oscar Cabeza ◽  
Vladislav B. Ivaništšev ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Free Energy ◽  
Ionic Liquids ◽  
Molecular Dynamics Simulation ◽  
Interfacial Free Energy ◽  
Dynamics Simulation ◽  
Energy Barriers ◽  
Divalent Salts

A molecular dynamics study of graphene-confined mixtures of 1-butyl-3-methylimidazolium tetrafluoroborate ([BMIm][BF4]) with Mg[BF4]2 is reported.

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