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- W2074964462 abstract "Monte Carlo measurements of the chemical potential of hard polyatomics of different conformations dissolved in hard sphere fluids are reported. These are compared with analytical expressions derived from the hard fluid model, performed as a function of solute size and solvent density. An excluded volume approximation, which is exact at low density, is found to compare favorably with simulation results for solutes of low asymmetry. This equates the chemical potential of an arbitrarily shaped hardbody solute with that of a sphere of the same excluded volume. For solutes of high asymmetry systematic deviations from this excluded volume approximation are found. New analytical relations between the optimal effective hard sphere diameter and solute asymmetry are suggested. These yield quantitatively accurate chemical potential predictions for hardbody solutes of arbitrary size and shape, up to liquid densities." @default.
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- W2074964462 date "1997-01-15" @default.
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- W2074964462 title "Chemical potentials of hard polyatomic solutes in hard sphere fluids" @default.
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- W2074964462 doi "https://doi.org/10.1063/1.473213" @default.
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