Calculation of Chemical Equilibrium in Complex Systems: System Restrictions

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Title:Calculation of Chemical Equilibrium in Complex Systems: System Restrictions
Creators:
Voňka, Petr
Leitner, Jindřich
Journal or Publication Title:
Collection of Czechoslovak Chemical Communications, 65, 9, pp. 1443-1454
Uncontrolled Keywords:Non-stoichiometric methods, Mass balance equations, Chemical equilibria, Thermodynamics, Gibbs energy

Abstract

The set of positive solutions of the mass balance equations Ω must not be empty; otherwise, at least one species exists which has zero number of moles independently of the chemical changes in the system. If the set Ω is empty, then numerical problems can occur in the course of the calculation of chemical equilibrium. Two examples demonstrate the importance of this problem and the algorithm, allowing to prove emptiness or non-emptiness of the set Ω, is proposed. <p>

Title:Calculation of Chemical Equilibrium in Complex Systems: System Restrictions
Creators:
Voňka, Petr
Leitner, Jindřich
Uncontrolled Keywords:Non-stoichiometric methods, Mass balance equations, Chemical equilibria, Thermodynamics, Gibbs energy
Divisions:Life and Chemical Sciences > Institute of Organic Chemistry and Biochemistry > Collection of Czechoslovak Chemical Communications
Journal or Publication Title:Collection of Czechoslovak Chemical Communications
Volume:65
Number:9
Page Range:pp. 1443-1454
ISSN:0010-0765
E-ISSN:1212-6950
Publisher:Institute of Organic Chemistry and Biochemistry
Related URLs:
URLURL Type
http://dx.doi.org/10.1135/cccc20001443UNSPECIFIED
ID Code:1728
Item Type:Article
Deposited On:06 Feb 2009 17:12
Last Modified:06 Feb 2009 16:12

Citation

Voňka, Petr; Leitner, Jindřich (2000) Calculation of Chemical Equilibrium in Complex Systems: System Restrictions. Collection of Czechoslovak Chemical Communications, 65 (9). pp. 1443-1454. ISSN 0010-0765

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