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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 84, 1995 - Issue 2
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Original Articles

Vapour-liquid equilibria of two-centre Lennard-Jones fluids from the NpT plus test particle method

Christian Kriebel Institut für Physikalische Chemie, Universität Halle-Wittenberg, D-06217, Merseburg, Germany
,
Andreas Müller Institut für Physikalische Chemie, Universität Halle-Wittenberg, D-06217, Merseburg, Germany
,
Jochen Winkelmann Institut für Physikalische Chemie, Universität Halle-Wittenberg, D-06217, Merseburg, Germany
&
Johann Fischer Institut für Land-, Umwelt- und Energietechnik, Universität für Bodenkultur, A-1190, Wien, Austria
Pages 381-394 | Received 19 Aug 1994, Accepted 07 Oct 1994, Published online: 22 Aug 2006

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Stephan Werth, Katrin Stöbener, Martin Horsch & Hans Hasse. (2017) Simultaneous description of bulk and interfacial properties of fluids by the Mie potential. Molecular Physics 115:9-12, pages 1017-1030.
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MARTIN LÍSAL & IVO NEZBEDA. (1999) Pure fluids of homonuclear and heteronuclear square-well diatomics I. Computer simulation study. Molecular Physics 96:3, pages 335-347.
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GERGELY KRONOME JANOS LISZI ISTVAN SZALAI. (1998) Monte Carlo simulation of some thermophysical properties of two-centre Lennard-Jones fluids along the vapour–liquid equilibrium curve. Molecular Physics 93:2, pages 279-286.
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Martin Lísal & Václav Vacek. (1997) Direct Evaluation of Solid–Liquid Equilibria by Molecular Dynamics Using Gibbs-Duhem Integration. Molecular Simulation 19:1, pages 43-61.
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Martin Lísal & Václav Vacek. (1996) Direct Evaluation of Vapour-Liquid Equilibria of Mixtures by Molecular Dynamics Using Gibbs-Duhem Integration. Molecular Simulation 18:1-2, pages 75-99.
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CARLOS VEGA & LUISG. MACDOWELL. (1996) Understanding the critical properties of chain molecules. Molecular Physics 88:6, pages 1575-1602.
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A. PERERA. (1996) On the phase diagrams of fluids of linearly fused Lennard-Jones sites. Molecular Physics 88:2, pages 543-557.
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Martin Lísal & Václav Vacek. (1996) Direct Evaluation of Vapour-Liquid Equilibria by Molecular Dynamics using Gibbs-Duhem Integration. Molecular Simulation 17:1, pages 27-39.
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Jadran Vrabec & Johann Fischer. (1995) Vapour liquid equilibria of mixtures from the NpT plus test particle method. Molecular Physics 85:4, pages 781-792.
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Articles from other publishers (29)

Richard J. Sadus. 2024. Molecular Simulation of Fluids. Molecular Simulation of Fluids 1 18 .
Víctor M. Trejos & Francisco Gámez. (2022) Thermodynamics of multipolar Kihara fluids. Results from Monte Carlo simulations and molecular discrete perturbation theory. Chemical Physics Letters 809, pages 140171.
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Cassiano G. Aimoli, Danilo P. de Carvalho, Pedro A. Pessoa Filho, Edward J. Maginn & Charlles R.A. Abreu. (2020) Thermodynamic properties and fluid phase equilibrium of natural gas containing CO2 and H2O at extreme pressures typically found in pre-salt reservoirs. Journal of Natural Gas Science and Engineering 79, pages 103337.
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W. Rżysko & M. Borówko. (2011) A critical behavior of the Lennard–Jones dimeric fluid in two-dimensions.. Surface Science 605:13-14, pages 1219-1223.
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José G. Sampayo, Felipe J. Blas, Enrique de Miguel, Erich A. Müller & George Jackson. (2010) Monte Carlo Simulations of the Liquid−Vapor Interface of Lennard−Jones Diatomics for the Direct Determination of the Interfacial Tension Using the Test-Area Method. Journal of Chemical & Engineering Data 55:10, pages 4306-4314.
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Heiko Braun & Reinhard Hentschke. (2009) Tracking gas-liquid coexistence in fluids of charged soft dumbbells. Physical Review E 80:4.
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Aysa L. Galbraith & C.K. Hall. (2007) Solid–liquid phase equilibria for mixtures containing diatomic Lennard–Jones molecules. Fluid Phase Equilibria 262:1-2, pages 1-13.
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Aysa L. Galbraith & C.K. Hall. (2006) Vapor–liquid phase equilibria for mixtures containing diatomic Lennard–Jones molecules. Fluid Phase Equilibria 241:1-2, pages 175-185.
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Tomonari Sumi, Hideaki Shirahama & Hideo Sekino. (2004) A density-functional study for the liquid–vapor coexistence curve of nitrogen fluid. The Journal of Chemical Physics 121:2, pages 1014-1019.
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C. Vega, C. McBride, E. de Miguel, F. J. Blas & A. Galindo. (2003) The phase diagram of the two center Lennard-Jones model as obtained from computer simulation and Wertheim’s thermodynamic perturbation theory. The Journal of Chemical Physics 118:23, pages 10696-10706.
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Jürgen Stoll, Jadran Vrabec & Hans Hasse. (2003) Comprehensive study of the vapour–liquid equilibria of the pure two-centre Lennard–Jones plus pointdipole fluid. Fluid Phase Equilibria 209:1, pages 29-53.
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Zhigang Zhang & Zhenhao Duan. (2002) Phase equilibria of the system methane–ethane from temperature scaling Gibbs Ensemble Monte Carlo simulation. Geochimica et Cosmochimica Acta 66:19, pages 3431-3439.
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Tobias Breitenstein & Rolf Lustig. (2002) Boyle temperatures, Joule-Thomson inversion temperatures, and critical points of highly symmetrical multi-center Lennard-Jones molecules. Journal of Molecular Liquids 98-99, pages 263-284.
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Baw-Ching Perng, Shogo Sasaki, Branka M. Ladanyi, K.F. Everitt & J.L. Skinner. (2001) A new intermolecular potential for liquid oxygen. Chemical Physics Letters 348:5-6, pages 491-496.
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J Winkelmann. (2001) The liquid-vapour interface of pure fluids and mixtures: application of computer simulation and density functional theory. Journal of Physics: Condensed Matter 13:21, pages 4739-4768.
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Martin Lísal, William R. Smith & Ivo Nezbeda. (2001) Accurate vapour–liquid equilibrium calculations for complex systems using the reaction Gibbs ensemble Monte Carlo simulation method. Fluid Phase Equilibria 181:1-2, pages 127-146.
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Jürgen Stoll, Jadran Vrabec, Hans Hasse & Johann Fischer. (2001) Comprehensive study of the vapour–liquid equilibria of the pure two-centre Lennard–Jones plus pointquadrupole fluid. Fluid Phase Equilibria 179:1-2, pages 339-362.
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I. Yu. Gotlib & E. M. Piotrovskaya. (1999) Properties of Coexisting Phases for the Ethanol−Ethane Binary System by Computer Simulation. The Journal of Physical Chemistry B 103:36, pages 7681-7686.
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K. F. Everitt & J. L. Skinner. (1999) Vibrational energy relaxation of oxygen in liquid mixtures with argon. The Journal of Chemical Physics 110:9, pages 4467-4470.
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Gergely Kronome, Tamás Kristóf, János Liszi & István Szalai. (1999) Heat capacities of two-centre Lennard–Jones fluids from NpT ensemble Monte Carlo simulations. Fluid Phase Equilibria 155:2, pages 157-166.
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K.F. Everitt, S.A. Egorov & J.L. Skinner. (1998) Vibrational energy relaxation in liquid oxygen. Chemical Physics 235:1-3, pages 115-122.
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M. Lísal, R. Budinský & V. Vacek. (1997) Vapour-liquid equilibria for dipolar two-centre Lennard-Jones fluids by Gibbs-Duhem integration. Fluid Phase Equilibria 135:2, pages 193-207.
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M. Mecke, A. Müller, J. Winkelmann & J. Fischer. (1997) An equation of state for two-center Lennard-Jones fluids. International Journal of Thermophysics 18:3, pages 683-698.
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Axel Friedrich & Rolf Lustig. (1996) Thermodynamic properties of model molecules with hexagonal symmetry from statistical mechanical theory. The Journal of Chemical Physics 105:21, pages 9597-9614.
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C. Kriebel, A. M�ller, M. Mecke, J. Winkelmann & J. Fischer. (1996) Prediction of thermodynamic properties for fluid nitrogen with molecular dynamics simulations. International Journal of Thermophysics 17:6, pages 1349-1363.
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Tamás Kristóf, János Liszi & István Szalai. (2010) Determination of vapour‐liquid equilibria of two‐centre Lennard‐Jones fluids in the canonical ensemble. Berichte der Bunsengesellschaft für physikalische Chemie 100:8, pages 1363-1367.
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Dezsó Boda, János Liszi & István Szalai. (1996) A new simulation method for the determination of the vapour-liquid equilibria in the grand canonical ensemble. Chemical Physics Letters 256:4-5, pages 474-482.
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J. Vrabec & J. Fischer. (1996) Vapor-liquid equilibria of binary mixtures containing methane, ethane, and carbon dioxide from molecular simulation. International Journal of Thermophysics 17:4, pages 889-908.
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Christian Kriebel, Andreas Müller, Jochen Winkelmann & Johann Fischer. (1996) A hybrid equation of state for Stockmayer pure fluids and mixtures. Fluid Phase Equilibria 119:1-2, pages 67-80.
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