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Unified presentation and comparison of various formulations of the phase stability and phase equilibrium calculation problems

The result's identifiers

  • Result code in IS VaVaI

    <a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68407700%3A21340%2F18%3A00325665" target="_blank" >RIV/68407700:21340/18:00325665 - isvavai.cz</a>

  • Result on the web

    <a href="http://dx.doi.org/10.1016/j.fluid.2018.03.013" target="_blank" >http://dx.doi.org/10.1016/j.fluid.2018.03.013</a>

  • DOI - Digital Object Identifier

    <a href="http://dx.doi.org/10.1016/j.fluid.2018.03.013" target="_blank" >10.1016/j.fluid.2018.03.013</a>

Alternative languages

  • Result language

    angličtina

  • Original language name

    Unified presentation and comparison of various formulations of the phase stability and phase equilibrium calculation problems

  • Original language description

    In this paper we present general formulations of the phase-equilibrium and phase-stability problems for multicomponent mixtures and verify that these formulations generalize the problems of phase equilibrium and phase-stability at constant volume, temperature, and mole numbers (VTN-flash), at constant internal energy, volume, and mole numbers (UVN-flash), and at constant pressure, temperature, and mole numbers (PTN-flash). Furthermore, we develop a numerical method for solving the general formulation of phase-equilibrium problems. This algorithm is based on the direct minimization of the objective function with respect to the constraints. The algorithm uses a modified Newton-Raphson method, along with a modified Cholesky decomposition of the Hessian matrix to generate a sequence of states with decreasing values of the objective function. The algorithm was implemented in C++ and using generic programing we have a single, portable solver for all three flash formulations. Properties of the algorithm are shown on phase-equilibria problems of multicomponent mixtures in different specifications and with different levels of difficulty. Complexities and numerical performance of the individual flash formulations are discussed. (C) 2018 Published by Elsevier B.V.

  • Czech name

  • Czech description

Classification

  • Type

    J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database

  • CEP classification

  • OECD FORD branch

    10102 - Applied mathematics

Result continuities

  • Project

    <a href="/en/project/GA17-06759S" target="_blank" >GA17-06759S: Investigation of shallow subsurface flow with phase transitions</a><br>

  • Continuities

    P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Others

  • Publication year

    2018

  • 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

    1879-0224

  • Volume of the periodical

    476

  • Issue of the periodical within the volume

    Nov

  • Country of publishing house

    NL - THE KINGDOM OF THE NETHERLANDS

  • Number of pages

    28

  • Pages from-to

    61-88

  • UT code for WoS article

    000447551500003

  • EID of the result in the Scopus database

    2-s2.0-85052004270