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
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Czech description
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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