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Fast and Robust Algorithm for Calculation of Two-Phase Equilibria at Given Volume, Temperature, and Moles

The result's identifiers

  • Result code in IS VaVaI

    <a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68407700%3A21340%2F13%3A00207487" target="_blank" >RIV/68407700:21340/13:00207487 - isvavai.cz</a>

  • Result on the web

    <a href="http://dx.doi.org/10.1016/j.fluid.2013.05.036" target="_blank" >http://dx.doi.org/10.1016/j.fluid.2013.05.036</a>

  • DOI - Digital Object Identifier

    <a href="http://dx.doi.org/10.1016/j.fluid.2013.05.036" target="_blank" >10.1016/j.fluid.2013.05.036</a>

Alternative languages

  • Result language

    angličtina

  • Original language name

    Fast and Robust Algorithm for Calculation of Two-Phase Equilibria at Given Volume, Temperature, and Moles

  • Original language description

    We develop a new algorithm for the calculation of phase splitting at constant volume, temperature, and moles. The method is based on the direct minimization of the total Helmholtz free energy of the mixture with respect to the mole- and volume-balance constraints. The algorithm uses the Newton?Raphson minimization method with line-search and modified Cholesky factorization of the Hessian to produce a sequence of states with decreasing values of the total Helmholtz free energy. The algorithm is initialized using an initial guess that is constructed using the results of the constant volume stability testing.The speed and robustness of the algorithm are demonstrated by a number of examples of two-phase equilibrium calculations.

  • Czech name

  • Czech description

Classification

  • Type

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

  • CEP classification

    BJ - Thermodynamics

  • 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)<br>S - Specificky vyzkum na vysokych skolach

Others

  • Publication year

    2013

  • Confidentiality

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

Data specific for result type

  • Name of the periodical

    Fluid Phase Equilibria

  • ISSN

    0378-3812

  • e-ISSN

  • Volume of the periodical

    353

  • Issue of the periodical within the volume

    September

  • Country of publishing house

    NL - THE KINGDOM OF THE NETHERLANDS

  • Number of pages

    14

  • Pages from-to

    101-114

  • UT code for WoS article

    000323460500013

  • EID of the result in the Scopus database