• Medientyp: E-Artikel
  • Titel: An efficient method for the calculation of chemical equilibrium composition in multicomponent gas mixtures
  • Beteiligte: Metz, Stefan W.; Aretz, Wilfried; Wilhelmi, Herbert
  • Erschienen: Wiley, 1995
  • Erschienen in: Chemical Engineering & Technology
  • Sprache: Englisch
  • DOI: 10.1002/ceat.270180411
  • ISSN: 0930-7516; 1521-4125
  • Schlagwörter: Industrial and Manufacturing Engineering ; General Chemical Engineering ; General Chemistry
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  • Beschreibung: <jats:title>Abstract</jats:title><jats:p>The determination of the composition of multi‐component mixtures is the basis by which a number of technical and physical problems in the field of power and process engineering are modelled. In order to calculate chemical states of equilibrium in the gas phase, a calculation method will be presented which is founded on a minimization of the Gibbs enthalpy. This method is characterized by a high reliability in convergency, considerable independence of starting vectors and by a moderate requirement for programming. These characteristics are achieved by a transformation of variables which results in numerically more favourable solutions to the non‐linear equation system. Calculated equilibrium compositions (including dissociation and ionisation) for a stochiometric mixture of hydrogen and oxygen in a temperature range of 300–12000 K and a pressure of 10<jats:sup>5</jats:sup> Pa as well as the application of the method will be demonstrated.</jats:p>