Exploring the connection between the density-scaling exponent and the intermolecular potential for liquids on the basis of computer simulations of quasireal model systems

K. Koperwas, A. Grzybowski, and M. Paluch
Phys. Rev. E 101, 012613 – Published 30 January 2020

Abstract

In this paper, based on the molecular dynamics simulations of quasireal model systems, we propose a method for determination of the effective intermolecular potential for real materials. We show that in contrast to the simple liquids, the effective intermolecular potential for the studied systems depends on the thermodynamic conditions. Nevertheless, the previously established relationship for simple liquids between the exponent of the inverse power law approximation of intermolecular potential and the density-scaling exponent is still preserved when small enough intermolecular distances are considered. However, our studies show that molecules approach each other at these very short distances relatively rarely. Consequently, only sparse interactions between extremely close molecules determine the value of the scaling exponent and then strongly influence the connection between dynamics and thermodynamics of the whole system.

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  • Received 4 October 2019
  • Revised 2 December 2019

DOI:https://doi.org/10.1103/PhysRevE.101.012613

©2020 American Physical Society

Physics Subject Headings (PhySH)

Condensed Matter, Materials & Applied Physics

Authors & Affiliations

K. Koperwas*, A. Grzybowski, and M. Paluch

  • University of Silesia in Katowice, Institute of Physics, 75 Pułku Piechoty 1, 41-500 Chorzów, Poland and Silesian Center for Education and Interdisciplinary Research (SMCEBI), 75 Pułku Piechoty 1a, 41-500 Chorzów, Poland

  • *Corresponding author: kajetan.koperwas@us.edu.pl

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Vol. 101, Iss. 1 — January 2020

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