Direct molecular-level Monte Carlo simulation of Joule-Thomson processes

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F44555601%3A13440%2F03%3A00004826" target="_blank" >RIV/44555601:13440/03:00004826 - isvavai.cz</a>

Result on the web

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DOI - Digital Object Identifier

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Result language

angličtina

Original language name

Direct molecular-level Monte Carlo simulation of Joule-Thomson processes

Original language description

We present an application of the recently developed constant enthalpy-constant pressure Monte Carlo method [SMITH, W. R., and LISAL, M., 2002, Phys. Rev. E, 66, 01114] for the direct simulation of Joule-Thomson expansion processes using a molecular-levelsystem model. For the alternative refrigerant HFC-32 (CH2F2), we perform direct simulations of the isenthalpic integral Joule-Thomson effect (temperature drop) resulting from Joule-Thomson expansion from an initial pressure to the representative final pressure of 1 bar. 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 Joule-Thomson coefficient, mu(P,h), on pressure alongseveral representative isenthalps, as well as points on the Joule-Thomson 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 eq

Czech name

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Czech description

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Type

J_x - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)

CEP classification

BG - Nuclear, atomic and molecular physics, accelerators

OECD FORD branch

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Project

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Continuities

S - Specificky vyzkum na vysokych skolach

Publication year

2003

Confidentiality

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Name of the periodical

Molecular Physics

ISSN

0026-8976

e-ISSN

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Volume of the periodical

101

Issue of the periodical within the volume

18

Country of publishing house

GB - UNITED KINGDOM

Number of pages

10

Pages from-to

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UT code for WoS article

000185686500006

EID of the result in the Scopus database

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