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

0430358 - ÚCHP 2015 RIV NL eng J - Článek v odborném periodiku
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 ostatní: NSERCC(CA) OGP-1041
Institucionální podpora: RVO:67985858
Klíčová slova: refrigerants * molecular simulation * Joule-Thomson
Kód oboru RIV: CF - Fyzikální chemie a teoretická chemie
Impakt faktor: 2.200, rok: 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.
Trvalý link: http://hdl.handle.net/11104/0235519