The Journal of Chemical Physics · 1967 · 80 citations · 24 references
Natural SciencesPhysicsComputational PhysicsFluid MechanicsThermodynamicsApproximation MethodsCompressible FlowEquations Of StateStatistical MechanicsCompressibilityFluid CompressibilityHard Sphere ModelsHard-sphere ModelPair Correlation Functions
An approximate integral equation for the pair correlation function of a classical fluid, proposed previously, has been solved numerically for the hard-sphere potential. The equation contains a parameter which is chosen so as to yield consistency between the virial and compressibility equations of state. The computed thermodynamic quantities are compared with those from the Percus—Yevick (PY) and hypernetted-chain (HNC) integral equations, and with the Ree—Hoover Padé P(3, 3) approximant. Further comparisons are made with a Monte Carlo solution at a density ρσ3=0.8. The pressure-consistent results are found to improve upon the PY and HNC equations.
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Equation of State Calculations by Fast Computing Machines
N. Metropolis, Arianna W. Rosenbluth, M. N. Rosenbluth et al. · The Journal of Chemical Physics · 1953 · 37.1K citations
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Joseph O. Hirschfelder, C. F. Curtiss, R. Byron Bird · Physics Today · 1955 · 11.4K citations
Natural Sciences, Chemistry, Physics +14
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