Prediction of Isoenthalps, Joule–Thomson Coefficients and Joule–Thomson Inversion Curves of Refrigerants by Molecular Simulation

0430358 - ÚCHP 2015 RIV NL eng J - Journal Article
Figueroa-Gerstenmaier, S. - Lísal, Martin - Nezbeda, Ivo - Smith, W.R. - Trejos, V.M.
Prediction of Isoenthalps, Joule–Thomson Coefficients and Joule–Thomson Inversion Curves of Refrigerants by Molecular Simulation.
Fluid Phase Equilibria. Roč. 375, AUG 15 (2014), s. 143-151. ISSN 0378-3812. E-ISSN 1879-0224
Grant - others:NSERCC(CA) OGP-1041
Institutional support: RVO:67985858
Keywords : refrigerants * molecular simulation * Joule-Thomson
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 2.200, year: 2014

We describe molecular simulation methodology based on the recently proposed NPH MC algorithm to calculate isoenthalps (HC), Joule–Thomson coefficients, (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.
Permanent Link: http://hdl.handle.net/11104/0235519