Structural and thermodynamic properties of fluids whose molecules interact via one-, two-, and three-step potentials

Santos B. Yuste,Andrés Santos,Mariano López de Haro

Journal of Molecular Liquids（2022）

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摘要

•A semi-analytical and nonperturbative approach (RFA) is applied to fluids of molecules interacting via step potentials.•Comparison with recent simulation data for structural and thermodynamic properties shows a good agreement.•The RFA and exact properties at low densities are explicitly derived.

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关键词

Discrete potentials,Square-well model,Square-shoulder model,Radial distribution function,Structure factor,Compressibility factor,Rational-function approximation

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