scholarly journals Size and shape effects on the thermodynamic properties of nanoscale volumes of water

2017 ◽  
Vol 19 (13) ◽  
pp. 9016-9027 ◽  
Author(s):  
Bjørn A. Strøm ◽  
Jean-Marc Simon ◽  
Sondre K. Schnell ◽  
Signe Kjelstrup ◽  
Jianying He ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Thermodynamic Properties ◽  
Molecular Dynamics Simulations ◽  
Size And Shape ◽  
Shape Effects ◽  
Dynamics Simulations

Size and shape effects on the thermodynamic properties of nanoscale volumes of water in molecular dynamics simulations, based on the nanothermodynamic formalism of Terrell L. Hill.

scholarly journals Molecular dynamics simulations of aqueous glycine solutions

CrystEngComm ◽  
2017 ◽  
Vol 19 (47) ◽  
pp. 7197-7206 ◽  
Author(s):  
Yuriy G. Bushuev ◽  
Svetlana V. Davletbaeva ◽  
Oscar I. Koifman
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Size And Shape ◽  
Dynamics Simulations

Pre-nucleation clusters of glycine are strongly hydrated dynamic solutes, which change size and shape within hundreds of picoseconds.

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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