CHEMICAL EQUILIBRIUM AND KINETICS II
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F46747885%3A24220%2F08%3A%230000975" target="_blank" >RIV/46747885:24220/08:#0000975 - isvavai.cz</a>
Alternative codes found
RIV/46747885:24510/08:#0000040
Result on the web
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DOI - Digital Object Identifier
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Alternative languages
Result language
angličtina
Original language name
CHEMICAL EQUILIBRIUM AND KINETICS II
Original language description
A nonstoichiometric approach to the solution of the problem of the chemical equilibrium and kinetics consists in the functional minimization of the Gibbs free energy subject to linear, nonlinear and inequality constraints. Linear constraints represent asystem of mass-balance equations with an electroneutrality equation added, if necessary. Nonlinear constraints arise from implicit discretization of kinetics (ordinary diferential) equation. And finally inequality constraints correspond to physical considerations requiring quantities of components to be non-negative. Main modeling problems are caused by the strong non-linearity of activity coeficients. In some cases it even produces non-convexity of the Gibbs free energy. In this paper two approaches toactivity coeficients are compared.
Czech name
Výpočet chemické rovnováhy a kinetiky II
Czech description
Prezentace programu pro výpočet chemické rovnováhy a kinetiky. Dále je zde uveden příklad nekonvexnosti Gibbsovy energie při nevhodné volbě aktivitních koeficientů.
Classification
Type
D - Article in proceedings
CEP classification
JC - Computer hardware and software
OECD FORD branch
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Result continuities
Project
<a href="/en/project/1M0554" target="_blank" >1M0554: Advanced Remedial Technologies and Processes</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Others
Publication year
2008
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Article name in the collection
Proceedings of International Conference PRESENTATION of MATHEMATICS ?08
ISBN
978-80-7372-434-4
ISSN
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e-ISSN
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Number of pages
7
Pages from-to
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Publisher name
Liberec, Technická univerzita v Liberci 2008
Place of publication
Liberec
Event location
Liberec
Event date
Jan 1, 2008
Type of event by nationality
EUR - Evropská akce
UT code for WoS article
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