On the structure and thermodynamics of heat flow in fluids: A molecular dynamics study

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Abstract

An approach to determine the entropy of a liquid in non-equilibrium steady state was investigated. A realistic algorithm was used to calculate the impact of a steady temperature gradient on the interactions. The simulations were carried out at different densities and the results were compared with an equilibrium system with identical temperature and density.

Original languageEnglish
Pages (from-to)4156-4160
Number of pages5
JournalJournal of Chemical Physics
Volume115
Issue number9
DOIs
Publication statusPublished - Sep 1 2001

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ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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