Connecting entropy scaling and density scaling
JOURNAL OF CHEMICAL PHYSICS(2022)
摘要
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. Published under an exclusive license by AIP Publishing.
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关键词
entropy scaling,density scaling
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