AN EFFICIENT METHOD FOR THE CALCULATION OF CHEMICAL-EQUILIBRIUM COMPOSITION IN MULTICOMPONENT GAS-MIXTURES

The determination of the composition of multi-component mixtures is th e basis by which a number of technical and physical problems in the fi eld of power and process engineering are modelled. In order to calcula te chemical states of equilibrium in the gas phase, a calculation meth od will be presented which is founded on a minimization of the Gibbs e nthalpy. This method is characterized by a high reliability in converg ency, considerable independence of starting vectors and by a moderate requirement for programming. These characteristics are achieved by a t ransformation of variables which results in numerically more favourabl e solutions to the non-linear equation system. Calculated equilibrium compositions (including dissociation and ionisation) for a stochiometr ic mixture of hydrogen and oxygen in a temperature range of 300 - 12 0 00 K and a pressure of 10(5) Pa as well as the application of the meth od will be demonstrated.