Direct Molecular-Level Monte Carlo Simulation of Joule-Thompson Processes

0166841 - UCHP-M 20030158 RIV GB eng J - Journal Article
Lísal, Martin - Smith, W. R. - Aim, Karel
Direct Molecular-Level Monte Carlo Simulation of Joule-Thompson Processes.
Molecular Physics. Roč. 101, č. 18 (2003), s. 2875-2884. ISSN 0026-8976. E-ISSN 1362-3028
Institutional research plan: CEZ:AV0Z4072921
Keywords : simulation * refrigerant * expansion
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 1.591, year: 2003

We consider representative expansions from single-phase states yielding final states in both single-phase and two-phase regions. We also predict the dependence of T(P, h) and of the JT coeffcient on pressure along several representative isenthalps as well as points on the JT inversion curve. HFC-32 is modelled using a five-site potential taken from the literature with parameters derived from ab initio calculations and vapour-liquid equilibrium data. The simulated results show excellent agreement with those calculated from an international standard equation of state.
Permanent Link: http://hdl.handle.net/11104/0063950