Connecting entropy scaling and density scaling

Ian H. Bell, Robin Fingerhut, Jadran Vrabec, Lorenzo Costigliola

Publikation: Bidrag til tidsskriftTidsskriftartikelForskningpeer review

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.

OriginalsprogEngelsk
Artikelnummer074501
TidsskriftThe Journal of Chemical Physics
Vol/bind157
Udgave nummer7
Sider (fra-til)74501
Antal sider1
ISSN0021-9606
DOI
StatusUdgivet - 21 aug. 2022

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