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

Nobutaka Kumasaka, Yuji Nagasaka

Research output: Contribution to journalArticlepeer-review

1 Citation (Scopus)


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


Dive into the research topics of 'Equilibrium molecular dynamics calculation of the transport properties of HFC-134a'. Together they form a unique fingerprint.

Cite this