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Approaching averaged binary potential field from compressibility factor
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DOI：10.1016/j.molliq.2019.02.032.png)
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This paper developed a novel approach to determine averaged binary potential field (ABPF) from compressibility factor. After the concepts of intermolecular potential field and idealized symmetric fluid were introduced, relevant thermodynamical analytical expressions for the fluid were derived. Especially, a new equation relating the compressibility factor with the ABPF was obtained. And then, the obtained equation was applied to five typical fluids: argon, methane, methanol, benzene and water, which covers spherical, nonpolar and polar molecules. It was found that all the ABPFs of the five fluids exhibited a combination of the potential of soft sphere ball and/or the potential of standard Lennard-Jones' form taught in textbooks, and can be accurately fitted to the linear combination of odd Chebyshev polynomials up to the fifth degree. These results have not only shown the fruitfulness and application value of the approach, but also suggested an alternative way to explore the intermolecular interactions in the averaged field's manner. (C) 2019 Elsevier B.V. All rights reserved.
Keyword:
Intermolecular interaction
Binary potential field
Symmetric fluid
Averaged intermolecular distance
Compressibility factor
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期刊
IF:
5.2
论文数:
2.5W
被引数:
9.0W
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