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Temperature expansions in the square-shoulder fluid. II. Thermodynamics
The Journal of Chemical Physics ( IF 3.1 ) Pub Date : 2020-03-27 , DOI: 10.1063/1.5142662
O. Coquand 1 , M. Sperl 1, 2
Affiliation  

In Paper I [O. Coquand and M. Sperl, J. Chem. Phys. 152, 124112 (2020)], we derived analytical expressions for the structure factor of the square-shoulder potential in a perturbative way around the high- and low-temperature regimes. Here, various physical properties of these solutions are derived. In particular, we investigate the large wave number sector and relate it to the contact values of the pair-correlation function. Then, the thermoelastic properties of the square-shoulder fluids are discussed.

中文翻译:

方肩流体中的温度膨胀。二。热力学

在论文I [O. Coquand和M.Sperl,J.Chem。物理 152,124112(2020)],我们得出在围绕高和低温度方案微扰方式为方形肩电位的结构因素的分析表达式。在此,得出这些溶液的各种物理性质。特别是,我们研究了大波数扇区并将其与成对相关函数的接触值相关。然后,讨论了方肩流体的热弹性性质。
更新日期:2020-03-31
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