A method for computing multicomponent chemical equilibria based on equilibrium constants

Details A method for computing multicomponent chemical equilibria based on equilibrium constants A method for computing multicomponent chemical equilibria based on equilibrium constants

Oct 1975

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=1975gecoa..39.1375c&link_type=abstract

Geochimica et Cosmochimica Acta, vol. 39, Issue 10, pp.1375-1384

Computer Science

2

Scientific paper

The equilibrium activities and concentrations of N chemical species in a multicomponent system may be calculated given M independent equilibrium constants relating these species and N - M mass balances. These N equations are solved by Newton-Raphson iteration. Where initial concentration estimates are poor or the number of species large, an additional curve crawler technique introduces components by stepwise infinitesimal increments.

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