HUBER, Christophe; FILELLA, Montserrat; TOWN, Raewyn M.

doi:10.1016/S0098-3004(01)00092-9

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HUBER, Christophe
Institut de Chimie de la Matière Condensée de Bordeaux [ICMCB]
School of Chemistry
École Européene de Chimie, Polymères et Matériaux [Strasbourg] [ECPM]

FILELLA, Montserrat
Department of Inorganic, Analytical and Applied Chemistry

TOWN, Raewyn M.
School of Chemistry

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Computers & Geosciences. 2002, vol. 28, n° 5, p. 587-596

Elsevier

Résumé en anglais

A computer program (MODELm) is described for calculating the trace metal speciation of mixtures of several metals and natural organic matter by using a linear differential equilibrium function model that takes into account the metal binding dependence on the metal : complexant concentration ratio. MODELm was able to predict the degree of metal ion complexation by humic acid over a range of metal ion loadings in good agreement with reported experimental data. When compared with the widely used speciation code MINTEQA2, MODELm predicted a much greater amount of metal-NOM complexation under given conditions, and a marked dependence of the extent of metal-NOM complexation on the concentration of NOM. These results have significance for metal ion speciation modelling in natural systems.< Réduire

Mots clés en anglais

Natural organic matter

Humics

Trace metal speciation

Speciation modelling

Differential equilibrium function (DEF)

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Computer modelling of trace metal ion speciation: practical implementation of a linear continuous function for complecation by natural organic matter

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