<script type="text/javascript">
<!--
document.write('<div id="oa_widget"></div>');
document.write('<script type="text/javascript" src="https://www.openaire.eu/index.php?option=com_openaire&view=widget&format=raw&projectId=undefined&type=result"></script>');
-->
</script>

COPY SCRIPT

For further information contact us at helpdesk@openaire.eu

Connecting entropy scaling and density scaling

descriptionPublicationkeyboard_double_arrow_right Article , Preprint 17 Aug 2022Embargo end date: 01 Jan 2022Publisher:AIP PublishingJournal:The Journal of Chemical Physics, volume 157 (issn: 0021-9606, eissn: 1089-7690,

Authors: Ian H. Bell; Robin Fingerhut; Jadran Vrabec; Lorenzo Costigliola;

doi: 10.1063/5.0097088 , 10.48550/arxiv.2205.15885 , 10.14279/depositonce-16467

pmid: 35987579

arXiv: http://arxiv.org/abs/2205.15885

Connecting entropy scaling and density scaling

- Summary
- Subjects
- Metrics

Abstract

It is shown that the residual entropy (entropy minus that of the ideal gas at the same temperature and density) is mostly synonymous with the independent variable of density scaling, identifying a direct link between these two approaches. The residual entropy and the effective hardness of interaction (itself a derivative at constant residual entropy) are studied for the Lennard-Jones monomer and dimer as well as a range of rigid molecular models for carbon dioxide. It is observed that the density scaling exponent appears to be related to the two-body interactions in the dilute-gas limit.

Related Organizations

National Institute of Standards and Technology
United States
Roskilde University
Denmark
Technical University of Berlin
Germany

Keywords

Chemical Physics (physics.chem-ph), Lennard-Jones fluid, 620 Ingenieurwissenschaften und zugeordnete Tätigkeiten, FOS: Physical sciences, transport properties, Physics - Chemical Physics, viscosity, isomorph theory, statistical mechanics, molecular simulations, entropy

Impact byBIP!

	citations This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).	7
	popularity This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.	Top 10%
	influence This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).	Average
	impulse This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.	Top 10%