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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 28, 1974 - Issue 5
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Original Articles

Chemical potential of hard-sphere fluids by Monte Carlo methods

Pages 1241-1252 | Received 07 Feb 1974, Published online: 22 Aug 2006

Keep up to date with the latest research on this topic with citation updates for this article.

Read on this site (50)

A. Rahbari, R. Hens, M. Ramdin, O. A. Moultos, D. Dubbeldam & T. J. H. Vlugt. (2021) Recent advances in the continuous fractional component Monte Carlo methodology. Molecular Simulation 47:10-11, pages 804-823.
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KH. Nasrifar & O. Bolland. (2006) SIMPLIFIED HARD-SPHERE AND HARD-SPHERE CHAIN EQUATIONS OF STATE FOR ENGINEERING APPLICATIONS. Chemical Engineering Communications 193:10, pages 1277-1293.
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LINGHUI ZHANG & PAULR. VAN TASSEL. (2000) Configurational effects of templating on the adsorption isotherms of templated porous materials. Molecular Physics 98:19, pages 1521-1527.
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Osamu Nakahara. (2000) Model of cation adsorption on allophanic andisols I. Theory and algorithm. Soil Science and Plant Nutrition 46:1, pages 11-20.
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A. MULERO, C.A. FAÚNDEZ & F. CUADROS. (1999) Chemical potential for simple fluids from equations of state. Molecular Physics 97:3, pages 453-462.
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SURESH SUNDERRAJAN & CAROL K. HALL and D. FREEMAN. (1997) Sorption isotherms for spherical penetrants in facilitating polymeric media using Monte Carlo simulations. Molecular Physics 92:1, pages 109-116.
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A.P. Lyubartsev, A. Laaksonen & P.N. Vorontsov-velyaminov. (1996) Determination of Free Energy from Chemical Potentials: Application of the Expanded Ensemble Method. Molecular Simulation 18:1-2, pages 43-58.
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M. Barošová, M. Malijevský, S. Labík & W.R. Smith. (1996) Computer simulation of the chemical potentials of binary hard-sphere mixtures. Molecular Physics 87:2, pages 423-439.
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LuisF. Rull, George Jackson & Berend Smit. (1995) The condition of microscopic reversibility in Gibbs ensemble Monte Carlo simulations of phase equilibria. Molecular Physics 85:3, pages 435-447.
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Samantha Weerasinghe & B. Montgomery Pettitt. (1994) Ideal chemical potential contribution in molecular dynamics simulations of the grand canonical ensemble. Molecular Physics 82:5, pages 897-912.
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AlexanderP. Lyubartsev, Aatto Laaksonen & PavelN. Vorontsov-Velyaminov. (1994) Free energy calculations for Lennard-Jones systems and water using the expanded ensemble method A Monte Carlo and molecular dynamics simulation study. Molecular Physics 82:3, pages 455-471.
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Ai Chen & CynthiaS. Hirtzel. (1994) Macro state Markov chain model for computer simulation of grand canonical ensemble. Molecular Physics 82:2, pages 263-275.
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Shaoyi Jiang, KeithE. Gubbins & JohnA. Zollweg. (1993) Adsorption, isosteric heat and commensurate-incommensurate transition of methane on graphite. Molecular Physics 80:1, pages 103-116.
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Shaoyi Jiang, CharlesL. Rhykerd & KeithE. Gubbins. (1993) Layering, freezing transitions, capillary condensation and diffusion of methane in slit carbon pores. Molecular Physics 79:2, pages 373-391.
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Phil Attard & GrantA. Moule. (1993) A force-balance Monte Carlo simulation of the surface tension of a hard-sphere fluid. Molecular Physics 78:4, pages 943-959.
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Seung Do Hong, Byoung Jip Yoon & Mu Shik Jhon. (1992) Calculation of excess free energy from averaged acceptance ratio in Monte Carlo simulation for hard sphere and hard dumbbell fluids. Molecular Physics 75:2, pages 355-361.
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RandallQ. Snurr, R. Larry June, AlexisT. Bell & DorosN. Theodorou. (1991) Molecular Simulations of Methane Adsorption in Silicalite. Molecular Simulation 8:1-2, pages 73-92.
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J.J. Morales & K. Singer. (1991) Path integral simulation of the free energy of (Lennard-Jones) neon. Molecular Physics 73:4, pages 873-880.
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Dolores Ayala de Lonngi & Pablo Alejandro Lonngi Villanueva. (1991) Irreducible rational approximants for the hard-sphere fluid. Molecular Physics 73:4, pages 763-772.
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Arun Yethiraj & CarolK. Hall. (1991) Monte Carlo simulation of the equilibrium partitioning of chain fluids between a bulk and a pore. Molecular Physics 73:3, pages 503-515.
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Tahir Çagin & B. Montgomery Pettitt. (1991) Grand Molecular Dynamics: A Method for Open Systems. Molecular Simulation 6:1-3, pages 5-26.
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J.P. R. B. Walton & N. Quirke. (1989) Capillary Condensation: A Molecular Simulation Study. Molecular Simulation 2:4-6, pages 361-391.
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J.M. D. Macelroy & S.-H. Suh. (1989) Simulation Studies of a Lennard-Jones Liquid in Micropores. Molecular Simulation 2:4-6, pages 313-351.
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LisaA. Fanti & EduardoD. Glandt. (1989) Monte Carlo Simulation of Fluids in Curved Three-dimensional Space. Molecular Simulation 2:3, pages 163-176.
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R.E. Randelman, GaryS. Grest & M. Radosz. (1989) Monte Carlo Simulations of the Chemical Potential and Free Energy for Trimer and Hexamer Rings. Molecular Simulation 2:1-2, pages 69-88.
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M. Nouacer & K.S. Shing. (1989) Grand Canonical Monte Carlo Simulation for Solubility Calculation in Supercritical Extraction. Molecular Simulation 2:1-2, pages 55-68.
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J.E. Finn & P.A. Monson. (1988) Adsorption equilibria in an isobaric ensemble. Molecular Physics 65:6, pages 1345-1361.
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V.Ya. Antonchenko, V.V. Ilyin, N.N. Makovsky & V.M. Khryapa. (1988) Short-range order in cylindrical liquid-filled micropores. Molecular Physics 65:5, pages 1171-1183.
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Uwe Heinbuch & Johann Fischer. (1987) On the Application of Widom's Test Particle Method to Homogeneous and Inhomogeneous Fluids. Molecular Simulation 1:1-2, pages 109-120.
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S.-H. Suh & J.M.D. MacElroy. (1986) Molecular dynamics simulation of hindered diffusion in microcapillaries. Molecular Physics 58:3, pages 445-473.
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JulieA. Ballance & RobinJ. Speedy. (1985) Calculation of y(r) inside the core for hard discs and spheres. Molecular Physics 54:5, pages 1035-1045.
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B. Guillot & Y. Guissani. (1985) Investigation of the chemical potential by molecular dynamics simulation. Molecular Physics 54:2, pages 455-465.
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V.Ya. Antonchenko, V.V. Ilyin, N.N. Makovsky, A.N. Pavlov & V.P. Sokhan. (1984) On the nature of disjoining pressure oscillations in fluid films. Molecular Physics 52:2, pages 345-355.
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J.G. Powles, W.A.B. Evans & N. Quirke. (1982) Non-destructive molecular-dynamics simulation of the chemical potential of a fluid. Molecular Physics 46:6, pages 1347-1370.
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D.F. Coker & R.O. Watts. (1981) Chemical equilibria in mixtures of bromine and chlorine. Molecular Physics 44:6, pages 1303-1318.
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K.S. Shing & K.E. Gubbins. (1981) The chemical potential from computer simulation. Molecular Physics 43:3, pages 717-721.
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J.L. Soto & A.L. Myers. (1981) Monte Carlo studies of adsorption in molecular sieves. Molecular Physics 42:4, pages 971-983.
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Stanislav Labik & Anatol Malijevsky. (1981) Monte Carlo simulations of the radial distribution function of fluid hard spheres. Molecular Physics 42:3, pages 739-744.
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S. Romano & K. Singer. (1979) Calculation of the entropy of liquid chlorine and bromine by computer simulation. Molecular Physics 37:6, pages 1765-1772.
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H. Meirovitch & Z. Alexandrowicz. (1977) Estimation of the pressure with computer simulation. Molecular Physics 34:4, pages 1027-1035.
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D.J. Adams. (1976) Calculating the low temperature vapour line by Monte Carlo. Molecular Physics 32:3, pages 647-657.
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D.J. Adams. (1975) Grand canonical ensemble Monte Carlo for a Lennard-Jones fluid. Molecular Physics 29:1, pages 307-311.
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