The computation of chemical equilibrium in complex systems containing non-ideal solutions

Details The computation of chemical equilibrium in complex systems containing non-ideal solutions The computation of chemical equilibrium in complex systems containing non-ideal solutions

Oct 1987

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=1987gecoa..51.2639d&link_type=abstract

Geochimica et Cosmochimica Acta, vol. 51, Issue 10, pp.2639-2652

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A general algorithm for the computation of chemical equilibria in complex systems containing non-ideal solutions has been developed. The method is a G -minimization based on repeated linear and nonlinear programming steps. A computer program (THERIAK) based on this algorithm has been written and was used to solve a great variety of problems, ranging from a simple blast furnace calculation to liquid-liquid unmixing in a four component silicate melt. The computing times are in the magnitude of to 2 seconds for each calculation. The method can also be used to test the consequences of thermodynamic models and data in systems of interest to many fields, including chemistry, geochemistry and metallurgy.

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