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

Nobutaka Kumasaka, Yuji Nagasaka

Research output: Contribution to journalArticle

Abstract

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
Volume33
Issue number3
DOIs
Publication statusPublished - 2001

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norflurane
Transport properties
Molecular dynamics
Thermal conductivity
thermal conductivity
transport properties
molecular dynamics
viscosity
Lennard-Jones potential
Viscosity of liquids
conductivity
Einstein equations
engineering
Viscosity
liquids

ASJC Scopus subject areas

  • Materials Science (miscellaneous)
  • Mechanics of Materials
  • Computational Mechanics
  • Physical and Theoretical Chemistry
  • Fluid Flow and Transfer Processes

Cite this

Equilibrium molecular dynamics calculation of the transport properties of HFC-134a. / Kumasaka, Nobutaka; Nagasaka, Yuji.

In: High Temperatures - High Pressures, Vol. 33, No. 3, 2001, p. 311-317.

Research output: Contribution to journalArticle

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