Computer modelling of trace metal ion speciation: practical implementation of a linear continuous function for complecation by natural organic matter
| hal.structure.identifier | Institut de Chimie de la Matière Condensée de Bordeaux [ICMCB] | |
| hal.structure.identifier | School of Chemistry | |
| hal.structure.identifier | École Européene de Chimie, Polymères et Matériaux de Strasbourg [ECPM] | |
| dc.contributor.author | HUBER, Christophe | |
| hal.structure.identifier | Department of Inorganic, Analytical and Applied Chemistry | |
| dc.contributor.author | FILELLA, Montserrat | |
| hal.structure.identifier | School of Chemistry | |
| dc.contributor.author | TOWN, Raewyn M. | |
| dc.date.issued | 2002 | |
| dc.identifier.issn | 0098-3004 | |
| dc.description.abstractEn | 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. | |
| dc.language.iso | en | |
| dc.publisher | Elsevier | |
| dc.subject.en | Natural organic matter | |
| dc.subject.en | Humics | |
| dc.subject.en | Trace metal speciation | |
| dc.subject.en | Speciation modelling | |
| dc.subject.en | Differential equilibrium function (DEF) | |
| dc.title.en | Computer modelling of trace metal ion speciation: practical implementation of a linear continuous function for complecation by natural organic matter | |
| dc.type | Article de revue | |
| dc.identifier.doi | 10.1016/S0098-3004(01)00092-9 | |
| dc.subject.hal | Chimie/Matériaux | |
| bordeaux.journal | Computers & Geosciences | |
| bordeaux.page | 587-596 | |
| bordeaux.volume | 28 | |
| bordeaux.issue | 5 | |
| bordeaux.peerReviewed | oui | |
| hal.identifier | hal-00817531 | |
| hal.version | 1 | |
| hal.popular | non | |
| hal.audience | Internationale | |
| hal.origin.link | https://hal.archives-ouvertes.fr//hal-00817531v1 | |
| bordeaux.COinS | ctx_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.jtitle=Computers%20&%20Geosciences&rft.date=2002&rft.volume=28&rft.issue=5&rft.spage=587-596&rft.epage=587-596&rft.eissn=0098-3004&rft.issn=0098-3004&rft.au=HUBER,%20Christophe&FILELLA,%20Montserrat&TOWN,%20Raewyn%20M.&rft.genre=article |
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