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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/ | ||||||||||||
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| Document Type: | Article | ||||||||||||
| Title: | Temperature Expansions in the Square Shoulder Fluid II: Thermodynamics | ||||||||||||
| Authors: |
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| 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: | 24 Oct 2023 11:13 |
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