Molecular dynamics simulation on thermodynamic properties and transport coefficients

Journal of Thermal Science ◽

10.1007/bf02653185 ◽

1996 ◽

Vol 5 (3) ◽

pp. 196-200 ◽

Author(s):

D. X. Xiong ◽

Y. S. Xu ◽

Z. Y. Guo

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Thermodynamic Properties ◽

Transport Coefficients ◽

Dynamics Simulation

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Molecular dynamics simulation of thermodynamic properties and local structure of Na2CO3-K2CO3 eutectic salt during phase transition

Journal of Energy Storage ◽

10.1016/j.est.2021.103221 ◽

2021 ◽

Vol 43 ◽

pp. 103221

Author(s):

Yunkun Lu ◽

Gaoqun Zhang ◽

Junjie Hao ◽

Jingcen Zhang ◽

Liang Chang ◽

...

Keyword(s):

Phase Transition ◽

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Thermodynamic Properties ◽

Local Structure ◽

Dynamics Simulation ◽

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Molecular Dynamics Simulation of Thermodynamic Properties for CO2/Ionic Liquid Systems

Acta Physico-Chimica Sinica ◽

10.3866/pku.whxb20091004 ◽

2009 ◽

Vol 25 (11) ◽

pp. 2291-2295

Author(s):

WANG Wei-Bin ◽

◽

◽

YIN Jian-Zhong ◽

SUN Li-Hua ◽

...

Keyword(s):

Molecular Dynamics ◽

Ionic Liquid ◽

Molecular Dynamics Simulation ◽

Thermodynamic Properties ◽

Dynamics Simulation ◽

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Molecular dynamics simulation on the thermodynamic properties of insulating paper cellulose modified by silane coupling agent grafted nano-SiO2

AIP Advances ◽

10.1063/1.5131821 ◽

2019 ◽

Vol 9 (12) ◽

pp. 125134 ◽

Author(s):

Lihan Wang ◽

Chao Tang ◽

Xiaobo Wang ◽

Wei Zheng

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Thermodynamic Properties ◽

Coupling Agent ◽

Silane Coupling Agent ◽

Dynamics Simulation ◽

Nano Sio2 ◽

Insulating Paper ◽

Silane Coupling

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Molecular-dynamics simulation of structural and thermodynamic properties of ternary alloy ZnSxSe1-x

Applied Physics Research ◽

10.5539/apr.v3n2p211 ◽

2011 ◽

Vol 3 (2) ◽

Author(s):

Fatma-Zahra Aoumeur-Benkabou

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Thermodynamic Properties ◽

Ternary Alloy ◽

Dynamics Simulation

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Computation of some thermodynamic properties of nitrogen using a new intermolecular potential from molecular dynamics simulation

Chemical Physics ◽

10.1016/j.chemphys.2009.02.002 ◽

2009 ◽

Vol 358 (3) ◽

pp. 185-195 ◽

Author(s):

Elaheh K. Goharshadi ◽

Mohsen Abbaspour ◽

Majid Namayandeh Jorabchi ◽

Masoud Nahali

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Thermodynamic Properties ◽

Dynamics Simulation ◽

Intermolecular Potential

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Molecular Dynamics Simulation of Structure and Thermodynamic Properties of Poly(dimethylsilamethylene) and Hydrocarbon Solubility Therein: Toward the Development of Novel Membrane Materials for Hydrocarbon Separation

Macromolecules ◽

10.1021/ma034332a ◽

2004 ◽

Vol 37 (3) ◽

pp. 1102-1112 ◽

Author(s):

Vasilios E. Raptis ◽

Ioannis G. Economou ◽

Doros N. Theodorou ◽

John Petrou ◽

John H. Petropoulos

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Thermodynamic Properties ◽

Dynamics Simulation ◽

Membrane Materials

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Study of thermodynamic properties of imidazolium-based ionic liquids and investigation of the alkyl chain length effect by molecular dynamics simulation

Molecular Simulation ◽

10.1080/08927022.2013.794273 ◽

2013 ◽

Vol 39 (13) ◽

pp. 1070-1078 ◽

Author(s):

Saeid Yeganegi ◽

Vahid Sokhanvaran ◽

Azim Soltanabadi

Keyword(s):

Molecular Dynamics ◽

Ionic Liquids ◽

Molecular Dynamics Simulation ◽

Thermodynamic Properties ◽

Chain Length ◽

Alkyl Chain ◽

Alkyl Chain Length ◽

Dynamics Simulation ◽

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Structural and thermodynamic properties of GaN: a molecular dynamics simulation

Physics Letters A ◽

10.1016/s0375-9601(03)01039-9 ◽

2003 ◽

Vol 315 (3-4) ◽

pp. 319-324 ◽

Author(s):

Won Ha Moon ◽

Ho Jung Hwang

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Thermodynamic Properties ◽

Dynamics Simulation

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Some thermodynamic properties of fluids SF6, SF6–Ar, and SF6–Kr using new HFD-like potentials including three-body interactions: The inversion method and molecular dynamics simulation

Fluid Phase Equilibria ◽

10.1016/j.fluid.2012.07.015 ◽

2012 ◽

Vol 333 ◽

pp. 1-12 ◽

Author(s):

M. Abbaspour ◽

S. Naghipour Borj

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Thermodynamic Properties ◽

Dynamics Simulation ◽

Inversion Method ◽

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The effect of dislocations on the thermodynamic properties of Ta single crystal under high pressure by molecular dynamics simulation

Chinese Physics B ◽

10.1088/1674-1056/27/8/086401 ◽

2018 ◽

Vol 27 (8) ◽

pp. 086401

Author(s):

Yalin Li ◽

Jun Cai ◽

Dan Mo ◽

Yandong Wang

Keyword(s):

Molecular Dynamics ◽

High Pressure ◽

Molecular Dynamics Simulation ◽

Thermodynamic Properties ◽

Single Crystal ◽

Dynamics Simulation

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