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.
ASJC Scopus subject areas
- Condensed Matter Physics
- Mechanics of Materials
- Physical and Theoretical Chemistry