A test of systematic coarse-graining of molecular dynamics simulations: Thermodynamic properties

2012 ◽  
Vol 137 (16) ◽  
pp. 164106 ◽  
Author(s):  
Chia-Chun Fu ◽  
Pandurang M. Kulkarni ◽  
M. Scott Shell ◽  
L. Gary Leal
Keyword(s):  
Molecular Dynamics ◽  
Thermodynamic Properties ◽  
Molecular Dynamics Simulations ◽  
Coarse Graining ◽  
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

Height-driven structure and thermodynamic properties of confined ionic liquids inside carbon nanochannels from molecular dynamics study

2019 ◽  
Vol 21 (24) ◽  
pp. 12767-12776 ◽  
Author(s):  
Chenlu Wang ◽  
Yanlei Wang ◽  
Yumiao Lu ◽  
Hongyan He ◽  
Feng Huo ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Ionic Liquids ◽  
Thermodynamic Properties ◽  
Molecular Dynamics Simulations ◽  
Dynamics Simulations

The entropy–height relationship was determined via molecular dynamics simulations, indicating nonmonotonic changes in the thermodynamic properties of confined ionic liquids.

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