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Molecular-level Monte Carlo Simulation at Fixed Entropy

The result's identifiers

  • Result code in IS VaVaI

    <a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F67985858%3A_____%2F06%3A00054979" target="_blank" >RIV/67985858:_____/06:00054979 - isvavai.cz</a>

  • Alternative codes found

    RIV/44555601:13440/06:00003283

  • Result on the web

  • DOI - Digital Object Identifier

Alternative languages

  • Result language

    angličtina

  • Original language name

    Molecular-level Monte Carlo Simulation at Fixed Entropy

  • Original language description

    A Monte Carlo computer simulation method is presented for performing property predictions for fluid systems at fixed entropy using a molecular-level system model. The method can be applied to the design of isentropic processes important in refrigerationand heat pump cycles, and for fluid compression and expansion processes. The details of the method are presented, and we illustrate its application for isentropic calculations involving compression of the alternative refrigerant HFC-32 (CH2F2). The method?s computational efficiency is compared with a ´brute-force´; method based on a sequence of constant-pressure constant-temperature Monte Carlo simulations.

  • Czech name

    Molekulární Monte Carlo simulace při konstantní entropii

  • Czech description

    Článek prezentuje molekulární Monte Carlo simulační metodu, která umožňuje predikci vlastností tekutin při konstantní entropii. Metodu lze použít při výpočtu izoentropických procesů důležitých v chladírenském průmyslu. Metoda je ilustrována na predikci vlastností chladiva HFC-32 při izoentropické kompresi. Efektivita metody je srovnána s nepřimými simulačními metodami.

Classification

  • Type

    J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)

  • CEP classification

    CF - Physical chemistry and theoretical chemistry

  • OECD FORD branch

Result continuities

  • Project

    Result was created during the realization of more than one project. More information in the Projects tab.

  • Continuities

    P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>Z - Vyzkumny zamer (s odkazem do CEZ)

Others

  • Publication year

    2006

  • Confidentiality

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

Data specific for result type

  • Name of the periodical

    Chemical Physics Letters

  • ISSN

    0009-2614

  • e-ISSN

  • Volume of the periodical

    426

  • Issue of the periodical within the volume

    4-6

  • Country of publishing house

    NL - THE KINGDOM OF THE NETHERLANDS

  • Number of pages

    5

  • Pages from-to

    436-440

  • UT code for WoS article

  • EID of the result in the Scopus database