Predominance and mineral stability diagrams revisited.
Predominance and mineral stability diagrams are most useful if they are based on a full chemical speciation. The diagrams can then include a wide range of reactions of importance in environmental chemistry including adsorption and ion exchange reactions. They can also take into account the possible interactions between a large number of components and are able to model changes at a fixed total concentration of each component rather than under the commonly used but less realistic assumption of a fixed activity. A "hunt-and-track" algorithm is described that enables predominance and mineral stability diagrams to be constructed using any general-purpose speciation program. Examples are given using PHREEQC and Orchestra.
British Geological Survey and Centre for Ecology and Hydrology, Wallingford, Oxon, U.K. dgk@bgs.ac.uk
David G
DG
Kinniburgh
David M
DM
Cooper
D000465:Algorithms; D002254:Carbonates / Q000737:chemistry; D002623:Chemistry Techniques, Analytical / Q000379:methods*; D006812:Humic Substances / Q000032:analysis; D006863:Hydrogen-Ion Concentration; D008670:Metals / Q000737:chemistry; D008903:Minerals / Q000737:chemistry*; D008956:Models, Chemical; D012984:Software
D002254:Carbonates; D006812:Humic Substances; D008670:Metals; D008903:Minerals