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Molecular Simulation Volume 23, 1999 - Issue 1
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Original Articles

Molecular Dynamics Simulation of the Maxwell-Stefan Diffusion Coefficients in Lennard-Jones Liquid Mixtures

Irma M. J. J. van de Ven-Lucassen Laboratory for Separation Processes and Transport Phenomena, Eindhoven University of Technology, PO Box 513, 5600 MB, Eindhoven, The Netherlands
,
Anita M. V. J. Otten Laboratory for Separation Processes and Transport Phenomena, Eindhoven University of Technology, PO Box 513, 5600 MB, Eindhoven, The Netherlands
,
Thus J. H. Vlugt Laboratory for Separation Processes and Transport Phenomena, Eindhoven University of Technology, PO Box 513, 5600 MB, Eindhoven, The Netherlands
&
Piet J. A. M. Kerkhof Laboratory for Separation Processes and Transport Phenomena, Eindhoven University of Technology, PO Box 513, 5600 MB, Eindhoven, The Netherlands
Pages 43-54 | Received 01 Mar 1999, Accepted 01 Apr 1999, Published online: 23 Sep 2006

Citations (8)

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Takumi Ijichi, Shin-ichi Tsuda, Takashi Tokumasu & Hiroki Nagashima. (2023) The evaluation of density and diffusion properties in hydrogen/oxygen mixture modelled by Lennard-Jones fluid. Molecular Physics 121:19-20.
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Hua Yang, Jianguo Zhang & Florian Müller-Plathe. (2016) Extending reverse nonequilibrium molecular dynamics to the calculation of mutual diffusion coefficients in molecular fluid mixtures. Molecular Simulation 42:16, pages 1379-1384.
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Articles from other publishers (6)

Kara D. Fong, Julian Self, Bryan D. McCloskey & Kristin A. Persson. (2021) Ion Correlations and Their Impact on Transport in Polymer-Based Electrolytes. Macromolecules 54:6, pages 2575-2591.
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Gabriela Guevara-Carrion, Tatjana Janzen, Y. Mauricio Muñoz-Muñoz & Jadran Vrabec. (2016) Mutual diffusion of binary liquid mixtures containing methanol, ethanol, acetone, benzene, cyclohexane, toluene, and carbon tetrachloride. The Journal of Chemical Physics 144:12.
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Hua Yang, Jianguo Zhang, Florian Müller-Plathe & Yongbiao Yang. (2015) A reverse nonequilibrium molecular dynamics method for calculating the mutual diffusion coefficient for binary fluids. Chemical Engineering Science 130, pages 1-7.
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S. T. P. Psaltis & T. W. Farrell. (2011) Comparing Charge Transport Predictions for a Ternary Electrolyte Using the Maxwell–Stefan and Nernst–Planck Equations. Journal of The Electrochemical Society 158:1, pages A33.
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Daniel Matuszak, Gregory L. Aranovich & Marc D. Donohue. (2004) Lattice density functional theory of molecular diffusion. The Journal of Chemical Physics 121:1, pages 426.
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Chong Gu, Guang-Hua Gao, Yang-Xin Yu & Tomoshige Nitta. (2002) Simulation for separation of hydrogen and carbon monoxide by adsorption on single-walled carbon nanotubes. Fluid Phase Equilibria 194-197, pages 297-307.
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