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

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Abstract

We investigate the spatial structure of dense square-shoulder fluids. To this end, we derive analytical perturbative solutions of the Ornstein-Zernike equation in the low- and high-temperature limits as expansions around the known hard sphere solutions. We then discuss the suitability of perturbative approaches in relation to the Ornstein-Zernike equation. Our analytical expressions are shown to reproduce reasonably well numerical data in the appropriate regimes.

Item Type: Journal Article
Creators:
CreatorsEmailORCIDORCID Put Code
Coquand, O.UNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Sperl, M.UNSPECIFIEDUNSPECIFIEDUNSPECIFIED
URN: urn:nbn:de:hbz:38-340011
DOI: 10.1063/1.5142661
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:
KeywordsLanguage
RADIAL-DISTRIBUTION FUNCTION; HARD-SPHERE FLUID; STRUCTURAL-PROPERTIES; ANALYTICAL EXPRESSION; INTEGRAL-EQUATION; WELLMultiple languages
Chemistry, Physical; Physics, Atomic, Molecular & ChemicalMultiple languages
URI: http://kups.ub.uni-koeln.de/id/eprint/34001

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