Connecting Entropy Scaling and Density Scaling
Chemical Physics
2024-06-19 v1
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 two-body residual entropy is demonstrated to not be a suitable surrogate for the total residual entropy in the gas phase. 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 is related to the two-body interactions.
Cite
@article{arxiv.2205.15885,
title = {Connecting Entropy Scaling and Density Scaling},
author = {Ian Bell and Robin Fingerhut and Jadran Vrabec and Lorenzo Costigliola},
journal= {arXiv preprint arXiv:2205.15885},
year = {2024}
}