Effect of molecular elongation on the thermal conductivity of diatomic liquids

Takashi Tokumasu, Taku Ohara, Kenjiro Kamijo

Research output: Contribution to journalArticle

28 Citations (Scopus)

Abstract

The effect of molecular elongation on the thermal conductivity of diatomic liquids was studied using a nonequilibrium molecular dynamics (NEMD) method. The simulations were performed using the nondimensional form of the potential so that the molecular elongation was the only parameter varied in the simulation. The results show that the contribution of the heat flux caused by rotational energy transfer to the thermal conductivity increases with the increase in the molecular elongation.

Original languageEnglish
Pages (from-to)3677-3685
Number of pages9
JournalJournal of Chemical Physics
Volume118
Issue number8
DOIs
Publication statusPublished - 2003 Feb 22

ASJC Scopus subject areas

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

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