Thermodynamic pressures for hard spheres and closed-virial equation-of-state

MN Bannerman, L Lue, LV Woodcock - The Journal of chemical …, 2010 - pubs.aip.org
Hard-sphere molecular dynamics (MD) simulation results, with six-figure accuracy in the
thermodynamic equilibrium pressure, are reported and used to test a closed-virial equation-
of-state. This latest equation, with no adjustable parameters except known virial coefficients,
is comparable in accuracy both to Padé approximants, and to numerical parameterizations
of MD data. There is no evidence of nonconvergence at stable fluid densities. The virial
pressure begins to deviate significantly from the thermodynamic fluid pressure at or near the …
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