论文标题

流体的结构和热力学特性,其分子通过一,二和三步电势相互作用

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

论文作者

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

论文摘要

考虑到通过电势与硬核以及正方形井,正方形的肩膀和第二个正方形孔通过电势相互作用的流体的结构和热力学特性。这些属性是通过使用(半分析)有理函数函数近似方法作为特定情况的更通用公式的特定情况来得出的。结果与最新模拟数据的比较证实了该方法的有用性。

The structural and thermodynamic properties of fluids whose molecules interact via potentials with a hard-core plus a square well, a square shoulder, and a second square well, are considered. Those properties are derived by using a (semi-analytical) rational-function approximation method as a particular case of the more general formulation provided earlier involving potentials with a hard-core plus $n$ piecewise constant sections. Comparison of the results with recent simulation data confirms the usefulness of the approach.

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