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- W1982729269 abstract "The Helmholtz energy and pressure for Lennard-Jones chains are derived using a variational first-order perturbation theory. The reference system, comprising freely jointed tangent hard-sphere chains is solved in the Percus-Yevick approximation. The optimal diameter of segments in the hard-sphere chain reference is determined by minimizing the free energy through the Gibbs-Bogoliubov inequality. Unlike previous perturbation theories for non-aggregated Lennard-Jones spheres, the resulting hard-sphere segment diameter depends on chain length in addition to density and temperature. The resulting theory exhibits excellent agreement with MC simulation, over a wide range of conditions, without adjustable parameters." @default.
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- W1982729269 date "1995-06-10" @default.
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- W1982729269 title "Variational theory for Lennard-Jones chains" @default.
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- W1982729269 doi "https://doi.org/10.1080/00268979500101091" @default.
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