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

Nobutaka Kumasaka, Yuji Nagasaka

研究成果: Article査読

1 被引用数 (Scopus)

抄録

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.

本文言語English
ページ(範囲)311-317
ページ数7
ジャーナルHigh Temperatures - High Pressures
33
3
DOI
出版ステータスPublished - 2001 12月 1

ASJC Scopus subject areas

  • 凝縮系物理学
  • 材料力学
  • 物理化学および理論化学

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