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Prediction of Isoenthalps, Joule–Thomson Coefficients and Joule–Thomson Inversion Curves of Refrigerants by Molecular Simulation
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SYSNO ASEP 0430358 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title Prediction of Isoenthalps, Joule–Thomson Coefficients and Joule–Thomson Inversion Curves of Refrigerants by Molecular Simulation Author(s) Figueroa-Gerstenmaier, S. (MX)
Lísal, Martin (UCHP-M) RID, ORCID, SAI
Nezbeda, Ivo (UCHP-M) RID, ORCID, SAI
Smith, W.R. (CA)
Trejos, V.M. (MX)Source Title Fluid Phase Equilibria. - : Elsevier - ISSN 0378-3812
Roč. 375, AUG 15 (2014), s. 143-151Number of pages 9 s. Language eng - English Country NL - Netherlands Keywords refrigerants ; molecular simulation ; Joule-Thomson Subject RIV CF - Physical ; Theoretical Chemistry Institutional support UCHP-M - RVO:67985858 UT WOS 000339533200017 DOI 10.1016/j.fluid.2014.05.011 Annotation 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. Workplace Institute of Chemical Process Fundamentals Contact Eva Jirsová, jirsova@icpf.cas.cz, Tel.: 220 390 227 Year of Publishing 2015
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