An efficient method for the calculation of chemical equilibrium composition in multicomponent gas mixtures

✍ Scribed by Dipl.-Ing. Stefan W. Metz; Dipl.-Ing. Wilfried Aretz; Prof. Dr.-Ing. Herbert Wilhelmi

• Publisher: John Wiley and Sons
• Year: 1995
• Tongue: English
• Weight: 258 KB
• Volume: 18
• Category: Article
• ISSN: 0930-7516
• DOI: 10.1002/ceat.270180411

✦ Synopsis

Abstract

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 10^5^ Pa as well as the application of the method will be demonstrated.