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
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Czech description
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Classification
Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
BJ - Thermodynamics
OECD FORD branch
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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
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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
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