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Similarity law and critical properties in ionic systems.
Chemical Physics Letters ( IF 2.8 ) Pub Date : 2017-09-01 , DOI: 10.1016/j.cplett.2017.08.061
Caroline Desgranges , Jerome Delhommelle

Using molecular simulations, we determine the locus of ideal compressibility, or Zeno line, for a series of ionic compounds. We find that the shape of this thermodynamic contour follows a linear law, leading to the determination of the Boyle parameters. We also show that a similarity law, based on the Boyle parameters, yields accurate critical data when compared to the experiment. Furthermore, we show that the Boyle density scales linearly with the size-asymmetry, providing a direct route to establish a correspondence between the thermodynamic properties of different ionic compounds.

中文翻译:

离子系统中的相似定律和关键特性。

使用分子模拟,我们可以确定一系列离子化合物的理想可压缩性或Zeno谱线。我们发现该热力学轮廓的形状遵循线性定律,从而确定了博伊尔参数。我们还显示,与实验相比,基于博伊尔参数的相似性定律可产生准确的关键数据。此外,我们表明,波义耳密度与尺寸不对称性成线性比例关系,为建立不同离子化合物的热力学性质之间的对应关系提供了直接途径。
更新日期:2017-09-04
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