Thermodynamic Properties at Fixed Enthalpy for Alternative Refrigerants by Molecular Simulations

0363327 - ÚCHP 2012 GR eng C - Conference Paper (international conference)
Trejos, V.M. - Lísal, Martin - Nezbeda, Ivo - Smith, W.R. - Figueroa-Gerstenmaier, S.
Thermodynamic Properties at Fixed Enthalpy for Alternative Refrigerants by Molecular Simulations.
Book of Abstracts. -, 2011, S.480-482. ISBN N.
[Thermodynamics 2011. Athens (GR), 31.08.2011-03.09.2011]
Institutional research plan: CEZ:AV0Z40720504
Keywords : monte carlo simulation * enthalpy * refrigerants
Subject RIV: CF - Physical ; Theoretical Chemistry
www.thermodynamics2011.org http://arl-repository.lib.cas.cz/nusl/UCHP-M/cav_un_epca-0363327_01.pdf

In this work, the convenience of the (P,H) ensemble Monte Carlo simulation applied to process happening at constant enthalpy is showed. This was presented by means of the calculation of Joule-Thomson properties for 3 alternative refrigerants. Joule.Thomson coefficients and the complete Joule-Thomson inversion curves were calculated. The inversion curves were compared with previous results from Vrabec et al. presenting an excellent agreement. From this we can conclude that both methodologies conduct to equivalent results. The advantage to use the (P,H) ensemble Monte Carlo methodology in proces were constant enthalpy is involved, is the simplicity and fastness of its application.
Permanent Link: http://hdl.handle.net/11104/0199290