Equilibrium Molecular Dynamics Calculations of The Transport Properties of Molten Thallium Halides

Mapping Intimacies ◽

10.1063/1.2733346 ◽

2007 ◽

Author(s):

Seçkin D. Günay ◽

H. Birtan Kavanoz ◽

Mehmet Yilmaz ◽

Çetin Taşseven

Keyword(s):

Molecular Dynamics ◽

Transport Properties ◽

Molecular Dynamics Calculations ◽

Thallium Halides

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Transport Properties in Cryolitic Melts: NMR Measurements and Molecular Dynamics Calculations of Self-Diffusion Coefficients

ECS Meeting Abstracts ◽

10.1149/ma2010-02/37/2215 ◽

2010 ◽

Keyword(s):

Molecular Dynamics ◽

Transport Properties ◽

Diffusion Coefficients ◽

Self Diffusion ◽

Molecular Dynamics Calculations

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Transport Properties in Cryolitic Melts: NMR Measurements and Molecular Dynamics Calculations of Self-Diffusion Coefficients

ECS Transactions ◽

10.1149/1.3484825 ◽

2019 ◽

Vol 33 (7) ◽

pp. 679-684 ◽

Cited By ~ 4

Author(s):

Mallory Gobet ◽

Vincent Sarou-Kanian ◽

Anne Laure Rollet ◽

Mathieu Salanne ◽

Christian Simon ◽

...

Keyword(s):

Molecular Dynamics ◽

Transport Properties ◽

Diffusion Coefficients ◽

Self Diffusion ◽

Molecular Dynamics Calculations

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Conformational analysis of liquid dimethyl carbonate by molecular dynamics calculations

Molecular Physics ◽

10.1080/00268979809482199 ◽

1998 ◽

Vol 93 (1) ◽

pp. 153-158 ◽

Cited By ~ 7

Author(s):

OKIMASA OKADA

Keyword(s):

Molecular Dynamics ◽

Conformational Analysis ◽

Dimethyl Carbonate ◽

Molecular Dynamics Calculations

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MOLECULAR DYNAMICS CALCULATIONS OF NEAR-CRITICAL LIQUID OXYGEN DROPLET SURFACE TENSION

Atomization and Sprays ◽

10.1615/atomizspr.v15.i4.40 ◽

2005 ◽

Vol 15 (4) ◽

pp. 413-422 ◽

Cited By ~ 1

Author(s):

Michael M. Micci ◽

S. J. Lee ◽

B. Vieille ◽

C. Chauveau ◽

Iskendar Gokalp

Keyword(s):

Molecular Dynamics ◽

Surface Tension ◽

Droplet Surface ◽

Liquid Oxygen ◽

Molecular Dynamics Calculations

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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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Dynamics and kinetics of the Si(1D) + H2/D2 reactions on a new global ab initio potential energy surface

Physical Chemistry Chemical Physics ◽

10.1039/d0cp05540a ◽

2021 ◽

Vol 23 (10) ◽

pp. 6141-6153

Author(s):

Jianwei Cao ◽

Yanan Wu ◽

Haitao Ma ◽

Zhitao Shen ◽

Wensheng Bian

Keyword(s):

Molecular Dynamics ◽

Potential Energy ◽

Potential Energy Surface ◽

Ab Initio ◽

Quantum Dynamics ◽

Energy Surface ◽

Molecular Dynamics Calculations ◽

Ring Polymer ◽

Ring Polymer Molecular Dynamics ◽

Kinetics Of

Quantum dynamics and ring polymer molecular dynamics calculations reveal interesting dynamical and kinetic behaviors of an endothermic complex-forming reaction.

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