The breakdown of the direct relation between the density scaling exponent and the intermolecular interaction potential for molecular systems with purely repulsive intermolecular forces
arxiv(2024)
摘要
In this work, we question the generally accepted statement that the character
of intermolecular interactions can be directly determined from the scaling
exponent. Based on detailed studies of polyatomic molecular systems with
precisely defined and purely repulsive intermolecular potential, we show that
the value of the density scaling exponent evidently differs from the one
predicted by the intermolecular virial-potential-energy correlation. Since the
latter value directly results from the intermolecular potential, information on
the interactions between molecules within the system cannot be immediately
gained from the density scaling exponent value. Moreover, we suggest that the
recently proposed "molecular force" method also returns the value that varies
from the one scaling the dynamics. Finally, basing on our results, it might be
deduced that the intramolecular interactions influence the density scaling
value for real liquids.
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