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Coquand, O. and Sperl, M. (2020). Temperature expansions in the square-shoulder fluid. II. Thermodynamics. J. Chem. Phys., 152 (12). MELVILLE: AMER INST PHYSICS. ISSN 1089-7690

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Abstract

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.

Item Type:	Journal Article
Creators:	Creators Email ORCID ORCID Put Code Coquand, O. UNSPECIFIED UNSPECIFIED UNSPECIFIED Sperl, M. UNSPECIFIED UNSPECIFIED UNSPECIFIED
URN:	urn:nbn:de:hbz:38-340003
DOI:	10.1063/1.5142662
Journal or Publication Title:	J. Chem. Phys.
Volume:	152
Number:	12
Date:	2020
Publisher:	AMER INST PHYSICS
Place of Publication:	MELVILLE
ISSN:	1089-7690
Language:	English
Faculty:	Unspecified
Divisions:	Unspecified
Subjects:	no entry
Uncontrolled Keywords:	Keywords Language STRUCTURAL-PROPERTIES; INTEGRAL-EQUATION; WELL; SYSTEMS; BEHAVIOR; PHASES; STRIPE Multiple languages Chemistry, Physical; Physics, Atomic, Molecular & Chemical Multiple languages
URI:	http://kups.ub.uni-koeln.de/id/eprint/34000