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Connecting entropy scaling and density scaling

Published

Author(s)

Ian Bell, Robin Fingerhut, Jadran Vrabec, Lorenzo Costigliola

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.
Citation
Journal of Chemical Physics
Volume
157

Citation

Bell, I. , Fingerhut, R. , Vrabec, J. and Costigliola, L. (2022), Connecting entropy scaling and density scaling, Journal of Chemical Physics, [online], https://doi.org/10.1063/5.0097088, https://tsapps.nist.gov/publication/get_pdf.cfm?pub_id=934200 (Accessed February 4, 2023)
Created August 17, 2022, Updated November 29, 2022