Transport phenomena and microscopic structure in partially miscible binary fluids: A simulation study of the symmetrical Lennard-Jones mixture

Subir K. Das; Jürgen Horbach; Kurt Binder

doi:10.1063/1.1580106

Transport phenomena and microscopic structure in partially miscible binary fluids: A simulation study of the symmetrical Lennard-Jones mixture

The Journal of Chemical Physics ◽

10.1063/1.1580106 ◽

2003 ◽

Vol 119 (3) ◽

pp. 1547-1558 ◽

Cited By ~ 47

Author(s):

Subir K. Das ◽

Jürgen Horbach ◽

Kurt Binder

Keyword(s):

Simulation Study ◽

Transport Phenomena ◽

Microscopic Structure ◽

Binary Fluids ◽

Lennard Jones ◽

Partially Miscible

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Molecular Dynamics of Binary Fluids in the Region of the Critical Mixing Point: I. Experimental Fundamentals and the Adjustment of the Lennard-Jones Potential Parameters

Physics and Chemistry of Liquids ◽

10.1080/00319108008084780 ◽

1980 ◽

Vol 9 (3) ◽

pp. 245-264 ◽

Cited By ~ 14

Author(s):

Claus Hoheisel

Keyword(s):

Molecular Dynamics ◽

Lennard Jones Potential ◽

Binary Fluids ◽

Jones Potential ◽

Lennard Jones ◽

Potential Parameters ◽

Critical Mixing

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Molecular Dynamics Studies on the Partially Miscible Binary Liquid Mixture Methane/Tetrafluoromethane Based on Lennard-Jones (12-6) Potentials

Berichte der Bunsengesellschaft für physikalische Chemie ◽

10.1002/bbpc.19770810504 ◽

1977 ◽

Vol 81 (5) ◽

pp. 462-468 ◽

Cited By ~ 13

Author(s):

Claus Hoheisel

Keyword(s):

Molecular Dynamics ◽

Liquid Mixture ◽

Binary Liquid Mixture ◽

Binary Liquid ◽

Lennard Jones ◽

Partially Miscible

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Simulation of Transport in Partially Miscible Binary Fluids: Combination of Semigrandcanonical Monte Carlo and Molecular Dynamics Methods

Multiscale Modelling and Simulation - Lecture Notes in Computational Science and Engineering ◽

10.1007/978-3-642-18756-8_12 ◽

2004 ◽

pp. 169-185 ◽

Cited By ~ 1

Author(s):

Kurt Binder ◽

Subir K. Das ◽

Jürgen Horbach ◽

Marcus Müller ◽

Richard Vink ◽

...

Keyword(s):

Molecular Dynamics ◽

Monte Carlo ◽

Binary Fluids ◽

Partially Miscible ◽

Molecular Dynamics Methods

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Computer Simulation Study of the Evaporation Mechanisms in Lennard-Jones Clusters

Physics and Chemistry of Finite Systems: From Clusters to Crystals ◽

10.1007/978-94-017-2645-0_60 ◽

1992 ◽

pp. 459-464 ◽

Cited By ~ 1

Author(s):

C. E. Román ◽

I. L. Garzón

Keyword(s):

Computer Simulation ◽

Simulation Study ◽

Computer Simulation Study ◽

Lennard Jones

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Microscopic Structure and Interaction Analysis for Supercritical Carbon Dioxide−Ethanol Mixtures: A Monte Carlo Simulation Study

The Journal of Physical Chemistry B ◽

10.1021/jp810193b ◽

2009 ◽

Vol 113 (14) ◽

pp. 4781-4789 ◽

Cited By ~ 20

Author(s):

Wenhao Xu ◽

Jichu Yang ◽

Yinyu Hu

Keyword(s):

Carbon Dioxide ◽

Monte Carlo Simulation ◽

Monte Carlo ◽

Supercritical Carbon Dioxide ◽

Simulation Study ◽

Interaction Analysis ◽

Microscopic Structure ◽

Monte Carlo Simulation Study ◽

Supercritical Carbon

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Wetting phenomenon in the liquid-vapor phase coexistence of a partially miscible Lennard-Jones binary mixture

Physical Review E ◽

10.1103/physreve.70.051601 ◽

2004 ◽

Vol 70 (5) ◽

Cited By ~ 18

Author(s):

Enrique Díaz-Herrera ◽

J. Antonio Moreno-Razo ◽

Guillermo Ramírez-Santiago

Keyword(s):

Binary Mixture ◽

Vapor Phase ◽

Phase Coexistence ◽

Lennard Jones ◽

Partially Miscible ◽

Liquid Vapor

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Phase and interfacial behavior of partially miscible symmetric Lennard-Jones binary mixtures

The Journal of Chemical Physics ◽

10.1063/1.2102787 ◽

2005 ◽

Vol 123 (18) ◽

pp. 184507 ◽

Cited By ~ 15

Author(s):

Enrique Diaz-Herrera ◽

Guillermo Ramirez-Santiago ◽

Jose A. Moreno-Razo

Keyword(s):

Binary Mixtures ◽

Interfacial Behavior ◽

Lennard Jones ◽

Partially Miscible

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Influence of $$NO_2^ - $$ on the Microscopic Structure and Physical Properties of the Binary Nitrate Salts: a Molecular Dynamics Simulation Study

Journal of Thermal Science ◽

10.1007/s11630-020-1226-1 ◽

2020 ◽

Vol 29 (2) ◽

pp. 464-476

Author(s):

Haiou Ni ◽

Jie Wu ◽

Ze Sun ◽

Guimin Lu ◽

Jianguo Yu

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Physical Properties ◽

Simulation Study ◽

Dynamics Simulation ◽

Microscopic Structure ◽

Nitrate Salts

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Microscopic Structure of Solvated Poly(benzyl methacrylate) in an Imidazolium-Based Ionic Liquid: High-Energy X-ray Total Scattering and All-Atom MD Simulation Study

Macromolecules ◽

10.1021/acs.macromol.7b00840 ◽

2017 ◽

Vol 50 (12) ◽

pp. 4780-4786 ◽

Cited By ~ 11

Author(s):

Kenta Fujii ◽

Takeshi Ueki ◽

Kei Hashimoto ◽

Yumi Kobayashi ◽

Yuzo Kitazawa ◽

...

Keyword(s):

Ionic Liquid ◽

Simulation Study ◽

Md Simulation ◽

High Energy ◽

Microscopic Structure ◽

Total Scattering ◽

X Ray

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Microscopic Structure and Solubility Predictions of Multifunctional Solids in Supercritical Carbon Dioxide: A Molecular Simulation Study

The Journal of Physical Chemistry B ◽

10.1021/acs.jpcb.6b12390 ◽

2017 ◽

Vol 121 (7) ◽

pp. 1660-1674 ◽

Cited By ~ 12

Author(s):

Javad Noroozi ◽

Andrew S. Paluch

Keyword(s):

Carbon Dioxide ◽

Supercritical Carbon Dioxide ◽

Molecular Simulation ◽

Simulation Study ◽

Microscopic Structure ◽

Solubility Predictions ◽

Supercritical Carbon

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