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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 55, 1985 - Issue 2
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Original Articles

Computer simulation studies of molecular fluid mixtures

I. Hard spheres, heteronuclear dumbells, and linear triatomics

Ivo Nezbeda Department of Mathematics and Statistics, University of Guelph, Guelph, Ontario, Canada, N1G 2W1
,
M. Rami Reddy Department of Mathematics and Statistics, University of Guelph, Guelph, Ontario, Canada, N1G 2W1
&
William R. Smith Department of Mathematics and Statistics, University of Guelph, Guelph, Ontario, Canada, N1G 2W1View further author information
Pages 447-462 | Received 25 Jul 1984, Accepted 24 Aug 1984, Published online: 23 Aug 2006

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J.R. Solana. (2015) Equations of state of hard-body fluids: a new proposal. Molecular Physics 113:9-10, pages 1003-1013.
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J. LARGO & J.R. SOLANA. (1999) Equation of state for fused-hard-sphere fluid mixtures. Molecular Physics 96:9, pages 1367-1374.
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ErichA. Müller & KeithE. Gubbins. (1993) Simulation of hard triatomic and tetratomic molecules. Molecular Physics 80:4, pages 957-976.
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R. Pospí[sbreve]il, A. Malijevský, S. Labík & W.R. Smith. (1991) An accurate integral equation for molecular fluids. Molecular Physics 74:2, pages 253-260.
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MichaelD. Amos & George Jackson. (1991) BHS theory and computer simulations of linear heteronuclear triatomic hard-sphere molecules. Molecular Physics 74:1, pages 191-210.
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AmandaL. Archer & George Jackson. (1991) Theory and computer simulations of heteronuclear diatomic hard-sphere molecules (hard dumbbells). Molecular Physics 73:4, pages 881-896.
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S. Labík, A. Malijevský & W.R. Smith. (1991) An accurate integral equation for molecular fluids. Molecular Physics 73:3, pages 495-502.
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Ivo Nezbeda, M. Rami Reddy & WilliamR. Smith. (1990) Monte Carlo study of hard-body fluids at a hard wall: pure fluids and mixtures of spheres, heteronuclear dumbbells and linear triatomics. Molecular Physics 71:5, pages 915-929.
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HorstL. Vörtler, Jiři Kolafa & Ivo Nezbeda. (1989) Computer simulation studies of hard body fluid mixtures II. Molecular Physics 68:3, pages 547-561.
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Jose Alejandre, SergioE. Martinez-Casas & GustavoA. Chapela. (1988) On the calculation of the sphericity factor for fused hard sphere molecules. Molecular Physics 65:5, pages 1185-1193.
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Rolf Lustig. (1986) A thermodynamic perturbation theory for non-linear multicentre Lennard-Jones molecules with an anisotropic reference system. Molecular Physics 59:2, pages 173-194.
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Articles from other publishers (19)

M. Besnard, M. I. Cabaço, J. A. P. Coutinho & Y. Danten. (2013) Assessing the non-ideality of the CO2-CS2 system at molecular level: A Raman scattering study. The Journal of Chemical Physics 139:12.
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Tomáš Boublı́k. (2003) Virial coefficients and equation of state of hard chain molecules. The Journal of Chemical Physics 119:14, pages 7512-7518.
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C. Barrio, J. Largo & J.R. Solana. (2001) A corresponding states principle for the equation of state of hard body fluid mixtures. Chemical Physics 263:2-3, pages 347-358.
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C. Barrio & J. R. Solana. (1999) Equation of state for fluid mixtures of hard spheres and heteronuclear hard dumbbells. The Journal of Chemical Physics 111:10, pages 4640-4649.
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J. Largo & J. R. Solana. (1998) Equation of state for fluid mixtures of hard spheres and linear homonuclear fused hard spheres. Physical Review E 58:2, pages 2251-2258.
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M. J. Maeso & J. R. Solana. (1996) Equation of state for fluids of hard heteronuclear diatomic and symmetric triatomic molecules. The Journal of Chemical Physics 104:12, pages 4728-4735.
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Sameer D. Mehta & Kevin G. Honnell. (1996) Equations of State and Virial Coefficients for Rigid Linear Chains. The Journal of Physical Chemistry 100:24, pages 10408-10413.
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M. J. Maeso & J. R. Solana. (1995) A corresponding-states principle for the equation of state of linear homonuclear fused-hard-sphere fluids. International Journal of Thermophysics 16:6, pages 1413-1419.
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M. J. Maeso & J. R. Solana. (1994) An accurate equation of state for fluids of linear homonuclear fused hard spheres. The Journal of Chemical Physics 101:11, pages 9864-9868.
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S. Phan, E. Kierlik & M. L. Rosinberg. (1994) An equation of state for fused hard-sphere polyatomic molecules. The Journal of Chemical Physics 101:9, pages 7997-8003.
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Meng-Hui Li & Fu-Nan Huang. (1994) Application of generalized van der Waals theory and approximations of radial distribution functions to the development of mixing rules. Fluid Phase Equilibria 96, pages 155-172.
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M. J. Maeso & J. R. Solana. (1993) Equations of state for fused-hard-sphere fluids. International Journal of Thermophysics 14:5, pages 1051-1061.
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Gary M. Sowers & Stanley I. Sandler. (2004) Computer simulation of molecular fluid mixtures: Results and two new one‐fluid models. AIChE Journal 39:4, pages 663-676.
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Michael D. Amos & George Jackson. (1992) Bonded hard-sphere (BHS) theory for the equation of state of fused hard-sphere polyatomic molecules and their mixtures. The Journal of Chemical Physics 96:6, pages 4604-4618.
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Dominique Levesque & Jean Jacques Weis. 1995. The Monte Carlo Method in Condensed Matter Physics. The Monte Carlo Method in Condensed Matter Physics 121 204 .
T. Boublík, C. Vega & M. Diaz-Peña. (1990) Equation of state of chain molecules. The Journal of Chemical Physics 93:1, pages 730-736.
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Horst L. Vörtler & Ivo Nezbeda. (2010) Volume‐Explicit Equation of State and Excess Volume of Mixing of Fused‐Hard‐Sphere Fluids. Berichte der Bunsengesellschaft für physikalische Chemie 94:5, pages 559-563.
Crossref
Edmundo Gomes de Azevedo & John M. Prausnitz. (1988) Effects of molecular size and shape on thermodynamic properties of fluid mixtures. Fluid Phase Equilibria 41:1-2, pages 109-125.
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Rolf Lustig. (1987) Application of thermodynamic perturbation theory to multicentre Lennard—Jones molecules. Results for CF4, CCl4, neo-C5H12 and SF6 as tetrahedral and octahedral models. Fluid Phase Equilibria 32:2, pages 117-137.
Crossref

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