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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 100, 2002 - Issue 20
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Original Articles

Monte-Carlo integration for virial coefficients re-visited: hard convex bodies, spheres with a square-well potential and mixtures of hard spheres

A. YU. VLASOV Department of Chemistry, University of Manchester, Manchester, M13 9PL, UK
,
X.-M. YOU Department of Chemistry, University of Manchester, Manchester, M13 9PL, UK
&
A. J. MASTERS Department of Chemistry, University of Manchester, Manchester, M13 9PL, UK
Pages 3313-3324 | Received 08 Apr 2002, Accepted 06 May 2002, Published online: 01 Dec 2009

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Stanislav Labík, Anatol Malijevský & Jiří Kolafa. (2017) Virial coefficients of the additive hard-sphere binary mixtures up to the eighth. Molecular Physics 115:9-12, pages 1051-1056.
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Jiří Kolafa & Stanislav Labík. (2015) Virial coefficients and the equation of state of the hard tetrahedron fluid. Molecular Physics 113:9-10, pages 1119-1123.
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Tai Boon Tan, Andrew J. Schultz & David A. Kofke. (2011) Virial coefficients, equation of state, and solid–fluid coexistence for the soft sphere model. Molecular Physics 109:1, pages 123-132.
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Andrew J. Schultz & David A. Kofke. (2009) Sixth, seventh and eighth virial coefficients of the Lennard-Jones model. Molecular Physics 107:21, pages 2309-2318.
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Matthew Dennison, Andrew J. Masters, David L. Cheung & Michael P. Allen. (2009) Calculation of direct correlation function for hard particles using a virial expansion. Molecular Physics 107:4-6, pages 375-382.
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J. LARGO, J.R. SOLANA, L. ACEDO & A. SANTOS. (2003) Heat capacity of square-well fluids of variable width. Molecular Physics 101:19, pages 2981-2986.
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Markus Kulossa & Joachim Wagner. Virial coefficients of hard, two-dimensional, convex particles up to the eighth order. Molecular Physics 0:0.
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Articles from other publishers (42)

Markus Kulossa, Philipp Marienhagen & Joachim Wagner. (2022) Virial coefficients of hard hyperspherocylinders in : Influence of the aspect ratio . Physical Review E 105:6.
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Philipp Marienhagen, Robert Hellmann & Joachim Wagner. (2021) Calculation of third to eighth virial coefficients of hard lenses and hard, oblate ellipsoids of revolution employing an efficient algorithm. Physical Review E 104:1.
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P. N. Nikolaev. (2019) Free Energy and the Equation of State of a System of Solid Spheres in Narrow Cylindrical Pores. Moscow University Physics Bulletin 74:2, pages 124-130.
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P. N. Nikolaev. (2017) A new method to obtain the Carnahan–Starling equation and its generalization. Moscow University Physics Bulletin 72:1, pages 23-28.
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Alejandro Cuetos, Matthew Dennison, Andrew Masters & Alessandro Patti. (2017) Phase behaviour of hard board-like particles. Soft Matter 13:27, pages 4720-4732.
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Hainam Do, Chao Feng, Andrew J. Schultz, David A. Kofke & Richard J. Wheatley. (2016) Calculation of high-order virial coefficients for the square-well potential. Physical Review E 94:1.
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J. Richard Elliott, Andrew J. Schultz & David A. Kofke. (2015) Combined temperature and density series for fluid-phase properties. I. Square-well spheres. The Journal of Chemical Physics 143:11.
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Cheng Zhang, Chun-Liang Lai & B. Montgomery Pettitt. (2015) Computation of virial coefficients from integral equations. The Journal of Chemical Physics 142:21.
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Andrew J. Schultz & David A. Kofke. (2014) Fifth to eleventh virial coefficients of hard spheres. Physical Review E 90:2.
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X.-M. You, A. Yu. Vlasov, L. Anton & A. J. Masters. (2012) Isotropic and nematic phases of the hard spheroid fluid: A virial approach. Physical Review E 85:6.
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Matthew Dennison & Andrew J. Masters. (2011) High-level virial theory of hard spheroids. Physical Review E 84:2.
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Miguel Ángel G. Maestre, Andrés Santos, Miguel Robles & Mariano López de Haro. (2011) On the relation between virial coefficients and the close-packing of hard disks and hard spheres. The Journal of Chemical Physics 134:8.
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Marcus N. Bannerman, Leo Lue & Leslie V. Woodcock. (2010) Thermodynamic pressures for hard spheres and closed-virial equation-of-state. The Journal of Chemical Physics 132:8.
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Stanislav Labík. (2010) Exact analytical formula for a fifth virial coefficient of a hard-sphere mixture at infinite dilution for small diameter ratios. Collection of Czechoslovak Chemical Communications 75:2, pages 165-173.
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Isaac C. Sanchez & Jang S. Lee. (2009) On the Asymptotic Properties of a Hard Sphere Fluid. The Journal of Physical Chemistry B 113:47, pages 15572-15580.
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Stanislav Labík & Jiří Kolafa. (2009) Analytical expressions for the fourth virial coefficient of a hard-sphere mixture. Physical Review E 80:5.
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D.J. Naresh & Jayant K. Singh. (2009) Virial coefficients of hard-core attractive Yukawa fluids. Fluid Phase Equilibria 285:1-2, pages 36-43.
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Hu Jia-Wen & Yu Yang-Xin. (2009) Prediction and Refinement of High-Order Virial Coefficients for a Hard-Sphere System. Chinese Physics Letters 26:8, pages 086404.
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Andrew J. Schultz & David A. Kofke. (2009) Virial coefficients of Lennard-Jones mixtures. The Journal of Chemical Physics 130:22.
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Shiqi Zhou & J. R. Solana. (2009) Progress in the Perturbation Approach in Fluid and Fluid-Related Theories. Chemical Reviews 109:6, pages 2829-2858.
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Andrés Santos & Mariano López de Haro. (2009) A branch-point approximant for the equation of state of hard spheres. The Journal of Chemical Physics 130:21.
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D.J. Naresh & Jayant K. Singh. (2009) Virial coefficients and inversion curve of simple and associating fluids. Fluid Phase Equilibria 279:1, pages 47-55.
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Jiawen Hu & Yang-Xin Yu. (2009) High-order virial coefficients and equation of state for hard sphere and hard disk systems. Physical Chemistry Chemical Physics 11:41, pages 9382.
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Martin A. Bates, Matthew Dennison & Andrew Masters. (2008) Computer simulation and high level virial theory of Saturn-ring or UFO colloids. The Journal of Chemical Physics 129:7.
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A J Masters. (2008) Virial expansions. Journal of Physics: Condensed Matter 20:28, pages 283102.
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Magda Francová, Jiří Kolafa, Pavel Morávek, Stanislav Labík & Anatol Malijevský. (2008) Fluids of Hard Nonspherical Molecules. I. Higher Virial Coefficients. Collection of Czechoslovak Chemical Communications 73:3, pages 413-423.
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C. Barrio & J.R. Solana. 2008. Theory and Simulation of Hard-Sphere Fluids and Related Systems. Theory and Simulation of Hard-Sphere Fluids and Related Systems 133 182 .
A. Mulero, C.A. Galán, M.I. Parra & F. Cuadros. 2008. Theory and Simulation of Hard-Sphere Fluids and Related Systems. Theory and Simulation of Hard-Sphere Fluids and Related Systems 37 109 .
A. Malijevský & J. Kolafa. 2008. Theory and Simulation of Hard-Sphere Fluids and Related Systems. Theory and Simulation of Hard-Sphere Fluids and Related Systems 27 36 .
A. Malijevský & J. Kolafa. 2008. Theory and Simulation of Hard-Sphere Fluids and Related Systems. Theory and Simulation of Hard-Sphere Fluids and Related Systems 1 26 .
Kenneth M. Benjamin, Jayant K. Singh, Andrew J. Schultz & David A. Kofke. (2007) Higher-Order Virial Coefficients of Water Models. The Journal of Physical Chemistry B 111:39, pages 11463-11473.
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C. Barrio & J.R. Solana. (2006) Deriving the equation of state of additive hard-sphere fluid mixtures from that of a pure hard-sphere fluid. Physica A: Statistical Mechanics and its Applications 366, pages 79-87.
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Nathan Clisby & Barry M. McCoy. (2006) Ninth and Tenth Order Virial Coefficients for Hard Spheres in D Dimensions. Journal of Statistical Physics 122:1, pages 15-57.
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X.-M. You, A. Yu. Vlasov & A. J. Masters. (2005) The equation of state of isotropic fluids of hard convex bodies from a high-level virial expansion. The Journal of Chemical Physics 123:3, pages 034510.
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Marvin Bishop, Andrew Masters & A. Yu. Vlasov. (2005) The eighth virial coefficient of four- and five-dimensional hard hyperspheres. The Journal of Chemical Physics 122:15.
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Richard J. Wheatley. (2005) Inverse Power Potentials:  Virial Coefficients and a General Equation of State. The Journal of Physical Chemistry B 109:15, pages 7463-7467.
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Stanislav Labík, Jiří Kolafa & Anatol Malijevský. (2005) Virial coefficients of hard spheres and hard disks up to the ninth. Physical Review E 71:2.
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M. López de Haro & C. F. Tejero. (2004) Rescaled density expansions and demixing in hard-sphere binary mixtures. The Journal of Chemical Physics 121:14, pages 6918-6921.
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Marvin Bishop, Andrew Masters & A. Yu. Vlasov. (2004) Higher virial coefficients of four and five dimensional hard hyperspheres. The Journal of Chemical Physics 121:14, pages 6884-6886.
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Jayant K. Singh & David A. Kofke. (2004) Mayer Sampling: Calculation of Cluster Integrals using Free-Energy Perturbation Methods. Physical Review Letters 92:22.
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Jiří Kolafa, Stanislav Labík & Anatol Malijevský. (2004) Accurate equation of state of the hard sphere fluid in stable and metastable regions. Phys. Chem. Chem. Phys. 6:9, pages 2335-2340.
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A.Yu Vlasov & A.J Masters. (2003) Binary mixtures of hard spheres: how far can one go with the virial equation of state?. Fluid Phase Equilibria 212:1-2, pages 183-198.
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