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

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...

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Veröffentlicht in:	Geochimica et cosmochimica acta 1987-10, Vol.51 (10), p.2639-2652
Hauptverfasser:	de Capitani, Christian, Brown, Thomas H.
Format:	Artikel
Sprache:	eng
Schlagworte:	400201 - Chemical & Physicochemical Properties 580000 - Geosciences ALGORITHMS CHEMICAL REACTION KINETICS CHEMISTRY COMPARATIVE EVALUATIONS COMPUTERIZED SIMULATION DISPERSIONS DYNAMIC FUNCTION STUDIES EQUILIBRIUM GEOCHEMISTRY GEOSCIENCES INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY KINETICS MAGMA MATHEMATICAL LOGIC MATHEMATICAL MODELS METALLURGY MINERALS MIXING MIXTURES PHASE STUDIES PHYSICAL PROPERTIES REACTION KINETICS SILICATE MINERALS SIMULATION SOLUTIONS THERMODYNAMIC ACTIVITY THERMODYNAMIC PROPERTIES
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