scholarly journals Accurate schemes for calculation of thermodynamic properties of liquid mixtures from molecular dynamics simulations

2016 ◽  
Vol 145 (24) ◽  
pp. 244504 ◽  
Author(s):  
Miguel A. Caro ◽  
Tomi Laurila ◽  
Olga Lopez-Acevedo
Keyword(s):  
Molecular Dynamics ◽  
Thermodynamic Properties ◽  
Molecular Dynamics Simulations ◽  
Liquid Mixtures ◽  
Dynamics Simulations

Vibration-rotation spectra of HCl in rare-gas liquid mixtures: Molecular dynamics simulations of Q-branch absorption

2002 ◽  
Vol 116 (12) ◽  
pp. 5058 ◽  
Author(s):  
A. Medina ◽  
J. M. M. Roco ◽  
A. Calvo Hernández ◽  
S. Velasco ◽  
M. O. Bulanin ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Liquid Mixtures ◽  
Rare Gas ◽  
Vibration Rotation ◽  
Dynamics Simulations

Prediction of thermodynamic properties for fluid nitrogen with molecular dynamics simulations

1996 ◽  
Vol 17 (6) ◽  
pp. 1349-1363 ◽  
Author(s):  
C. Kriebel ◽  
A. M�ller ◽  
M. Mecke ◽  
J. Winkelmann ◽  
J. Fischer
Keyword(s):  
Molecular Dynamics ◽  
Thermodynamic Properties ◽  
Molecular Dynamics Simulations ◽  
Dynamics Simulations

Thermodynamic properties of methane/water interface predicted by molecular dynamics simulations

2011 ◽  
Vol 134 (14) ◽  
pp. 144702 ◽  
Author(s):  
Ryuji Sakamaki ◽  
Amadeu K. Sum ◽  
Tetsu Narumi ◽  
Ryo Ohmura ◽  
Kenji Yasuoka
Keyword(s):  
Molecular Dynamics ◽  
Thermodynamic Properties ◽  
Molecular Dynamics Simulations ◽  
Water Interface ◽  
Dynamics Simulations
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