Freezing point and solid-liquid interfacial free energy of Stockmayer dipolar fluids: A molecular dynamics simulation study

2013 ◽  
Vol 139 (11) ◽  
pp. 114705 ◽  
Author(s):  
Jun Wang ◽  
Pankaj A. Apte ◽  
James R. Morris ◽  
Xiao Cheng Zeng
Keyword(s):  
Molecular Dynamics ◽  
Free Energy ◽  
Molecular Dynamics Simulation ◽  
Simulation Study ◽  
Freezing Point ◽  
Interfacial Free Energy ◽  
Dynamics Simulation ◽  
Dipolar Fluids ◽  
Solid Liquid

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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