Prediction of isoenthalps, Joule–Thomson Coefficients and Joule–Thomson inversion curves of refrigerants by molecular simulation
We describe molecular simulation methodology based on the recently proposed NPH MC
algorithm to calculate isoenthalps (HC), Joule–Thomson coefficients, μ,(JTC) and Joule–
Thomson inversion curves (JTIC), and apply it to the representative ethane-based
alternative refrigerants R125, R134a and R152a over a wide range of thermodynamic
conditions. Although JTIC have been calculated previously by molecular simulation, HC and
JTC have rarely been studied by this approach, due to the requirement to incorporate ideal …
algorithm to calculate isoenthalps (HC), Joule–Thomson coefficients, μ,(JTC) and Joule–
Thomson inversion curves (JTIC), and apply it to the representative ethane-based
alternative refrigerants R125, R134a and R152a over a wide range of thermodynamic
conditions. Although JTIC have been calculated previously by molecular simulation, HC and
JTC have rarely been studied by this approach, due to the requirement to incorporate ideal …