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- W2170053336 abstract "We develop a crossover equation of state (EOS) for square-well fluids with varying well width. This equation yields the exact second and third virial coefficients, and accurately reproduces first-order (high-temperature) perturbation theory results. In addition, this EOS yields the correct scaling exponents near the critical point. We perform extensive new molecular dynamics and Monte Carlo simulations in the one-phase region for varying well widths of λ=1.5, 2.0, and 3.0. We fit the parameters of our EOS to one-phase and two-phase thermodynamic data from our simulations and those of previous researchers. The resulting EOS is found to represent the thermodynamic properties of these square-well fluids to less than 1% deviation in internal energy and density and 0.1% deviation in vapor pressure." @default.
- W2170053336 created "2016-06-24" @default.
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- W2170053336 date "2002-07-01" @default.
- W2170053336 modified "2023-09-24" @default.
- W2170053336 title "Computer simulations and crossover equation of state of square-well fluids" @default.
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- W2170053336 doi "https://doi.org/10.1016/s0378-3812(02)00022-5" @default.
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