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

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About: Fast and Robust Algorithm for Calculation of Two-Phase Equilibria at Given Volume, Temperature, and Moles Goto Sponge NotDistinct Permalink

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
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. 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. (en)
Title	Fast and Robust Algorithm for Calculation of Two-Phase Equilibria at Given Volume, Temperature, and Moles Fast and Robust Algorithm for Calculation of Two-Phase Equilibria at Given Volume, Temperature, and Moles (en)
skos:prefLabel	Fast and Robust Algorithm for Calculation of Two-Phase Equilibria at Given Volume, Temperature, and Moles Fast and Robust Algorithm for Calculation of Two-Phase Equilibria at Given Volume, Temperature, and Moles (en)
skos:notation	RIV/68407700:21340/13:00207487!RIV14-MSM-21340___
http://linked.open...avai/predkladatel	Fakulta jaderná a fyzikálně inženýrská
http://linked.open...avai/riv/aktivita	P S Z
http://linked.open...avai/riv/aktivity	P(GAP105/11/1507), P(LH12064), S, Z(MSM6840770010)
http://linked.open...iv/cisloPeriodika	September
http://linked.open...vai/riv/dodaniDat	2014
http://linked.open...aciTvurceVysledku	Jindrová, Tereza Mikyška, Jiří
http://linked.open.../riv/druhVysledku	J - Článek v odborném periodiku
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	České vysoké učení technické v Praze / Fakulta jaderná a fyzikálně inženýrská
http://linked.open...dnocenehoVysledku	74696
http://linked.open...ai/riv/idVysledku	RIV/68407700:21340/13:00207487
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	Two-phase equilibrium; Constant volume flash; Helmholtz free energy minimization; Newton–Raphson method; Modified Cholesky factorization (en)
http://linked.open.../riv/klicoveSlovo	Constant volume flash Helmholtz free energy minimization Modified Cholesky factorization Newton–Raphson method Two-phase equilibrium
http://linked.open...odStatuVydavatele	NL - Nizozemsko
http://linked.open...ontrolniKodProRIV	[813EB17F3D64]
http://linked.open...i/riv/nazevZdroje	Fluid Phase Equilibria
http://linked.open...in/vavai/riv/obor	BJ
http://linked.open...ichTvurcuVysledku	2 (xsd:int)
http://linked.open...cetTvurcuVysledku	2 (xsd:int)
http://linked.open...vavai/riv/projekt	Development of computer models of CO2 sequestration in the subsurface Computational Methods in Thermodynamics of Multicomponent Mixtures
http://linked.open...UplatneniVysledku	2013
http://linked.open...v/svazekPeriodika	353
http://linked.open...iv/tvurceVysledku	Mikyška, Jiří Jindrová, Tereza
http://linked.open...ain/vavai/riv/wos	000323460500013
http://linked.open...n/vavai/riv/zamer	Aplikovaná matematika v technických a fyzikálních vědách
issn	0378-3812
number of pages	14 (xsd:int)
http://bibframe.org/vocab/doi	10.1016/j.fluid.2013.05.036
http://localhost/t...ganizacniJednotka	21340

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