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Temperature Expansions in the Square Shoulder Fluid II: Thermodynamics

Coquand, O and Sperl, Matthias (2020) Temperature Expansions in the Square Shoulder Fluid II: Thermodynamics. Journal of Chemical Physics, 152, p. 124113. American Institute of Physics (AIP). doi: 10.1063/1.5142662. ISSN 0021-9606.

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Official URL: https://aip.scitation.org/doi/10.1063/1.5142662

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 URL in elib:https://elib.dlr.de/135107/
Document Type:Article
Title:Temperature Expansions in the Square Shoulder Fluid II: Thermodynamics
Authors:
AuthorsInstitution or Email of AuthorsAuthor's ORCID iD
Coquand, OUNSPECIFIEDUNSPECIFIED
Sperl, MatthiasMatthias.Sperl (at) dlr.deUNSPECIFIED
Date:27 March 2020
Journal or Publication Title:Journal of Chemical Physics
Refereed publication:Yes
Open Access:Yes
Gold Open Access:No
In SCOPUS:Yes
In ISI Web of Science:Yes
Volume:152
DOI :10.1063/1.5142662
Page Range:p. 124113
Publisher:American Institute of Physics (AIP)
ISSN:0021-9606
Status:Published
Keywords:structure factor, water, thermodynamics
HGF - Research field:Aeronautics, Space and Transport
HGF - Program:Space
HGF - Program Themes:Research under Space Conditions
DLR - Research area:Raumfahrt
DLR - Program:R FR - Research under Space Conditions
DLR - Research theme (Project):R - Model systems
Location: Köln-Porz
Institutes and Institutions:Institute of Materials Physics in Space
Deposited By: Sperl, Matthias
Deposited On:02 Jun 2020 07:14
Last Modified:01 Jun 2021 03:00

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