Equilibrium molecular dynamics calculation of the transport properties of HFC-134a

Nobutaka Kumasaka, Yuji Nagasaka

Research output: Contribution to journalArticle


Viscosity and thermal conductivity of HFC-134a have been calculated by means of equilibrium molecular dynamics (EMD). For the calculation of the transport properties by EMD, generalised Einstein equations were compared with Green-Kubo equations and the applicability of the former for engineering purposes was demonstrated. Even with the two-centre Lennard-Jones potential model, the calculated gaseous and liquid viscosities and thermal conductivities agreed with experimental data within 10%-20%, except for the gaseous thermal conductivity.

Original languageEnglish
Pages (from-to)311-317
Number of pages7
JournalHigh Temperatures - High Pressures
Issue number3
Publication statusPublished - 2001 Dec 1


ASJC Scopus subject areas

  • Condensed Matter Physics
  • Mechanics of Materials
  • Physical and Theoretical Chemistry

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