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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 118, 2020 - Issue 9-10: Thermodynamics 2019 Conference
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Thermodynamics 2019 Special Issue

Influence of dispersive long-range interactions on properties of vapour–liquid equilibria and interfaces of binary Lennard-Jones mixtures

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Article: e1699185 | Received 16 Sep 2019, Accepted 15 Nov 2019, Published online: 11 Dec 2019

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Read on this site (8)

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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Sebastian Schmitt, Truong Vo, Martin P. Lautenschlaeger, Simon Stephan & Hans Hasse. (2022) Molecular dynamics simulation study of heat transfer across solid–fluid interfaces in a simple model system. Molecular Physics 120:10.
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Isabel Nitzke, Konstantin Fackeldey & Jadran Vrabec. (2022) Long range corrections for inhomogeneous fluids containing a droplet or a bubble. Molecular Simulation 48:1, pages 73-86.
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Simon Stephan, Maximilian Dyga, Iyad Alabd Alhafez, Johannes Lenhard, Herbert M. Urbassek & Hans Hasse. (2021) Reproducibility of atomistic friction computer experiments: a molecular dynamics simulation study. Molecular Simulation 47:18, pages 1509-1521.
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Simon Stephan, Dominik Schaefer, Kai Langenbach & Hans Hasse. (2021) Mass transfer through vapour–liquid interfaces: a molecular dynamics simulation study. Molecular Physics 119:3.
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Simon Stephan & Hans Hasse. (2020) Enrichment at vapour–liquid interfaces of mixtures: establishing a link between nanoscopic and macroscopic properties. International Reviews in Physical Chemistry 39:3, pages 319-349.
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Articles from other publishers (28)

E. S. Benilov. (2024) Does the van der Waals force play a part in evaporation?. Physics of Fluids 36:3.
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Simon Stephan, Florian Fleckenstein & Hans Hasse. (2023) Vapor–Liquid Interfacial Properties of the Systems (Toluene + CO 2 ) and (Toluene + N 2 ): Experiments, Molecular Simulation, and Density Gradient Theory . Journal of Chemical & Engineering Data 69:2, pages 590-607.
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Bingyao Yuan, Wenyan Zhang, Qing Ren & Feiwu Chen. (2024) Molecular dynamics study on the anomalous behavior of phase transition heats of alcohols at vapor–liquid interface. Journal of Molecular Liquids 396, pages 124025.
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Hans Hasse, Martin T. Horsch, Michael Kopnarski, Kai Langenbach, Ralf Müller, Simon Stephan & Herbert M. Urbassek. 2024. Component Surfaces. Component Surfaces 203 229 .
Yafan Yang, Jingyu Wan, Jingfa Li, Guangsi Zhao & Xiangyu Shang. (2023) Molecular modeling of interfacial properties of the hydrogen + water + decane mixture in three-phase equilibrium. Physical Chemistry Chemical Physics 25:43, pages 29641-29655.
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Yafan Yang, Arun Kumar Narayanan Nair, Weiwei Zhu, Shuxun Sang & Shuyu Sun. (2023) Molecular perspectives of interfacial properties of the hydrogen+water mixture in contact with silica or kerogen. Journal of Molecular Liquids 385, pages 122337.
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Vilde Bråten, Dominik Schaefer, Simon Stephan & Hans Hasse. (2023) Molecular dynamics simulation study on the mass transfer across vapor–liquid interfaces in azeotropic mixtures. The Journal of Chemical Physics 159:8.
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Debolina Chakraborty, Sumaiya Jannat Esha, Sudipta Paul & Mohammad Nasim Hasan. (2023) Nanoscale liquid-vapor phase change characteristics of binary mixtures from molecular dynamics perspective. Journal of Molecular Liquids 384, pages 122191.
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Simon Stephan & Maximilian Urschel. (2023) Characteristic curves of the Mie fluid. Journal of Molecular Liquids 383, pages 122088.
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Ivan Antolović, Jens Staubach, Simon Stephan & Jadran Vrabec. (2023) Phase equilibria of symmetric Lennard-Jones mixtures and a look at the transport properties near the upper critical solution temperature. Physical Chemistry Chemical Physics 25:26, pages 17627-17638.
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Yuhan Li, Lu-Wen Zhang & Benlong Wang. (2023) Role of Mutual Diffusion in the Dissolution Behavior of One Primary Bulk Gas Nanobubble in Liquid: A Molecular Dynamics Study. Langmuir 39:22, pages 7684-7693.
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Dominik Schaefer, Simon Stephan, Kai Langenbach, Martin T. Horsch & Hans Hasse. (2023) Mass Transfer through Vapor–Liquid Interfaces Studied by Non-Stationary Molecular Dynamics Simulations. The Journal of Physical Chemistry B 127:11, pages 2521-2533.
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Isabel Nitzke, Rolf Stierle, Simon Stephan, Michael Pfitzner, Joachim Gross & Jadran Vrabec. (2023) Phase equilibria and interface properties of hydrocarbon propellant–oxygen mixtures in the transcritical regime. Physics of Fluids 35:3.
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Yafan Yang, Mohd Fuad Anwari Che Ruslan, Weiwei Zhu, Guangsi Zhao & Shuyu Sun. (2023) Interfacial behaviors of the H2O+CO2+CH4+C10H22 system in three phase equilibrium: A combined molecular dynamics simulation and density gradient theory investigation. Journal of Molecular Liquids 370, pages 121031.
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Simon Stephan, Harry Cárdenas, Andrés Mejía & Erich A. Müller. (2023) The monotonicity behavior of density profiles at vapor-liquid interfaces of mixtures. Fluid Phase Equilibria 564, pages 113596.
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David Fertig, Hans Hasse & Simon Stephan. (2022) Transport properties of binary Lennard-Jones mixtures: Insights from entropy scaling and conformal solution theory. Journal of Molecular Liquids 367, pages 120401.
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Nils E. R. Zimmermann, Gabriela Guevara‐Carrion, Jadran Vrabec & Niels Hansen. (2022) Predicting and Rationalizing the Soret Coefficient of Binary Lennard‐Jones Mixtures in the Liquid State. Advanced Theory and Simulations 5:11.
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Hongqin Liu. (2022) The mean-field dividing interface is united with the Widom line. Chemical Physics Letters 805, pages 139982.
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Jens Staubach & Simon Stephan. (2022) Interfacial properties of binary azeotropic mixtures of simple fluids: Molecular dynamics simulation and density gradient theory. The Journal of Chemical Physics 157:12.
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Michaela Heier, Felix Diewald, Ralf Müller, Kai Langenbach & Hans Hasse. (2021) Adsorption of Binary Mixtures of the Lennard-Jones Truncated and Shifted Fluid on Planar Walls. Journal of Chemical & Engineering Data 66:10, pages 3722-3734.
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Hideki Kanda, Wahyudiono & Motonobu Goto. (2021) Molecular Dynamics Simulation of Tolman Length and Interfacial Tension of Symmetric Binary Lennard–Jones Liquid. Symmetry 13:8, pages 1376.
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Michaela Heier, Simon Stephan, Felix Diewald, Ralf Müller, Kai Langenbach & Hans Hasse. (2021) Molecular Dynamics Study of Wetting and Adsorption of Binary Mixtures of the Lennard-Jones Truncated and Shifted Fluid on a Planar Wall. Langmuir 37:24, pages 7405-7419.
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Eder L. Granados-Bazán, Sergio E. Quiñones-Cisneros & Ulrich K. Deiters. (2021) Interfacial properties of binary mixtures of Lennard-Jones chains in planar interfaces by molecular dynamics simulation. The Journal of Chemical Physics 154:8.
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Simon Stephan & Ulrich K. Deiters. (2020) Characteristic Curves of the Lennard-Jones Fluid. International Journal of Thermophysics 41:10.
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Simon Stephan, Stefan Becker, Kai Langenbach & Hans Hasse. (2020) Vapor-liquid interfacial properties of the system cyclohexane + CO2: Experiments, molecular simulation and density gradient theory. Fluid Phase Equilibria 518, pages 112583.
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Simon Stephan & Hans Hasse. (2020) Interfacial properties of binary mixtures of simple fluids and their relation to the phase diagram. Physical Chemistry Chemical Physics 22:22, pages 12544-12564.
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Simon Stephan & Hans Hasse. (2020) Molecular interactions at vapor-liquid interfaces: Binary mixtures of simple fluids. Physical Review E 101:1.
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Simon Stephan, Monika Thol, Jadran Vrabec & Hans Hasse. (2019) Thermophysical Properties of the Lennard-Jones Fluid: Database and Data Assessment. Journal of Chemical Information and Modeling 59:10, pages 4248-4265.
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