Molecular dynamics study of the repulsive form influence of the interaction potential on structural, thermodynamic, interfacial, and transport properties

Guillaume Galliero; Christian Boned

doi:10.1063/1.2969766

Molecular dynamics study of the repulsive form influence of the interaction potential on structural, thermodynamic, interfacial, and transport properties

The Journal of Chemical Physics ◽

10.1063/1.2969766 ◽

2008 ◽

Vol 129 (7) ◽

pp. 074506 ◽

Cited By ~ 25

Author(s):

Guillaume Galliero ◽

Christian Boned

Keyword(s):

Molecular Dynamics ◽

Transport Properties ◽

Interaction Potential

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Fluid transport properties by equilibrium molecular dynamics. III. Evaluation of united atom interaction potential models for pure alkanes

The Journal of Chemical Physics ◽

10.1063/1.481353 ◽

2000 ◽

Vol 112 (17) ◽

pp. 7581-7590 ◽

Cited By ~ 56

Author(s):

D. K. Dysthe ◽

A. H. Fuchs ◽

B. Rousseau

Keyword(s):

Molecular Dynamics ◽

Transport Properties ◽

Interaction Potential ◽

Fluid Transport ◽

Potential Models ◽

Atom Interaction

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A MOLECULAR DYNAMICS STUDY ON THERMOPHYSICAL AND TRANSPORT PROPERTIES OF FLUORINATED ALKANE LIQUIDS

10.1615/ihtc16.nmt.023336 ◽

2018 ◽

Author(s):

Gota Kikugawa ◽

Naoki Minami ◽

Yingping Fang ◽

Mitsuru Nemoto ◽

Hiroki Matsubara ◽

...

Keyword(s):

Molecular Dynamics ◽

Transport Properties

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Understanding Structural and Transport Properties of Dissolved Li 2 S 8 in Ionic Liquid Electrolytes through Molecular Dynamics Simulations

ChemPhysChem ◽

10.1002/cphc.202000555 ◽

2021 ◽

Vol 22 (4) ◽

pp. 419-429

Author(s):

Tianyuan Hu ◽

Yanlei Wang ◽

Feng Huo ◽

Hongyan He ◽

Suojiang Zhang

Keyword(s):

Molecular Dynamics ◽

Ionic Liquid ◽

Molecular Dynamics Simulations ◽

Transport Properties ◽

Liquid Electrolytes ◽

Dynamics Simulations

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Optical and Transport Properties of Metal–Oil Nanofluids for Thermal Solar Industry: Experimental Characterization, Performance Assessment, and Molecular Dynamics Insights

ACS Sustainable Chemistry & Engineering ◽

10.1021/acssuschemeng.1c00053 ◽

2021 ◽

Author(s):

Iván Carrillo-Berdugo ◽

Patrice Estellé ◽

Elisa Sani ◽

Luca Mercatelli ◽

Ricardo Grau-Crespo ◽

...

Keyword(s):

Molecular Dynamics ◽

Performance Assessment ◽

Transport Properties ◽

Experimental Characterization

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Effect of increasing the cation chain length on thermodynamic and transport properties of ionic liquids using Molecular Dynamics

Journal of Molecular Liquids ◽

10.1016/j.molliq.2021.116430 ◽

2021 ◽

pp. 116430

Author(s):

E.G. Blanco-Díaz ◽

G. González-Alatorre ◽

F.J. Lona-Ramírez ◽

E.O. Castrejón-González

Keyword(s):

Molecular Dynamics ◽

Ionic Liquids ◽

Transport Properties ◽

Chain Length ◽

Thermodynamic And Transport Properties

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Effect of graphene and carbon-nitride nanofillers on the thermal transport properties of polymer nanocomposites: A combined molecular dynamics and finite element study

Physical Review E ◽

10.1103/physreve.103.013310 ◽

2021 ◽

Vol 103 (1) ◽

Author(s):

Leila Razzaghi ◽

Maryam Khalkhali ◽

Ali Rajabpour ◽

Farhad Khoeini

Keyword(s):

Molecular Dynamics ◽

Finite Element ◽

Transport Properties ◽

Polymer Nanocomposites ◽

Thermal Transport ◽

Carbon Nitride ◽

Finite Element Study ◽

Thermal Transport Properties ◽

Element Study

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Investigation of the thermal-transport properties for silicon nanofilm covered with graphene via nonequilibrium molecular dynamics

physica status solidi (b) ◽

10.1002/pssb.201147586 ◽

2012 ◽

Vol 249 (9) ◽

pp. 1728-1734 ◽

Cited By ~ 6

Author(s):

Yufei Gao ◽

Yuhang Jing ◽

Qingyuan Meng ◽

Lu Zhang ◽

Jiaqiu Liu ◽

...

Keyword(s):

Molecular Dynamics ◽

Transport Properties ◽

Thermal Transport ◽

Nonequilibrium Molecular Dynamics ◽

Thermal Transport Properties

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Transport properties of cholesteric liquid crystals studied by molecular dynamics simulation

Molecular Physics ◽

10.1080/00268970110046321 ◽

2001 ◽

Vol 99 (15) ◽

pp. 1235-1247 ◽

Cited By ~ 7

Author(s):

STEN SARMAN

Keyword(s):

Molecular Dynamics ◽

Liquid Crystals ◽

Molecular Dynamics Simulation ◽

Transport Properties ◽

Dynamics Simulation ◽

Cholesteric Liquid Crystals

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Molecular dynamics simulation of the transport properties of molten LiF–NaBr and LiF–KBr

Russian Metallurgy (Metally) ◽

10.1134/s0036029516020063 ◽

2016 ◽

Vol 2016 (8) ◽

pp. 709-714

Author(s):

M. A. Kobelev

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Transport Properties ◽

Dynamics Simulation

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Selected transport properties of 2HF–KF using molecular dynamics

Physical Chemistry Chemical Physics ◽

10.1039/b100944n ◽

2001 ◽

Vol 3 (15) ◽

pp. 3119-3124 ◽

Cited By ~ 4

Author(s):

Christian Simon ◽

Thierry Cartailler ◽

Pierre Turq

Keyword(s):

Molecular Dynamics ◽

Transport Properties

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