Modeling the binding of fulvic acid by goethite: the speciation of adsorbed FA molecules

Filius, Jeroen D.; Meeussen, J.C.L.; Lumsdon, David G.; Hiemstra, Tjisse; Riemsdijk, W.H. van

doi:10.1016/s0016-7037(02)01042-6

Cited by 96 publications

(110 citation statements)

References 40 publications

(49 reference statements)

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“…Adsorption of Cu or Ca in the ternary systems (Cu-FA-goethite, Ca-FA-goethite) is described using the linear additivity approach as well as the LCD (Ligand and Charge Distribution) model (Filius et al, 2001(Filius et al, , 2003Weng et al, 2005Weng et al, , 2006Weng et al, , 2007. Similar model calculations for Ca have been done in a previous study (Weng et al, 2005).…”

Section: Model Descriptionmentioning

confidence: 97%

“…In addition to the linear additivity model, adsorption of Cu or Ca to goethite in the presence of FA is also calculated using the more advanced LCD (Ligand and Charge Distribution) model (Filius et al, 2001(Filius et al, , 2003Weng et al, 2005Weng et al, , 2006Weng et al, , 2007, which integrates the NICA model and the CD-MUSIC model. In this work, the focus is to understand the mechanisms and speciation of metal ions adsorbed.…”

Section: Lcd Modelmentioning

confidence: 99%

“…Adsorption of Cu 2+ and FA in the Cu-FA-goethite system is measured and the data are compared to those using Ca 2+ . Better understanding of the dominant mechanisms of the interactions between metal ions and NOM at the surface of oxides is obtained by comparing results of the application of the linear additivity assumption and results of application of the more advanced LCD (Ligand and Charge Distribution) model (Filius et al, 2001(Filius et al, , 2003Weng et al, 2005Weng et al, , 2006Weng et al, , 2007.…”

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

Cu2+ and Ca2+adsorption to goethite in the presence of fulvic acids

Weng

Riemsdijk

Hiemstra

2008

Geochimica et Cosmochimica Acta

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100

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Section: Model Descriptionmentioning

confidence: 97%

Section: Lcd Modelmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Cu2+ and Ca2+adsorption to goethite in the presence of fulvic acids

Weng

Riemsdijk

Hiemstra

2008

Geochimica et Cosmochimica Acta

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100

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“…Therefore, the charge (z) per reacted surface group and its location (Dz i ) are relevant. These have been chosen based on the results of surface speciation calculations done for fulvic acid that is adsorbed by goethite (Filius et al, 2000(Filius et al, , 2003Weng et al, 2005Weng et al, , 2008.…”

Section: Classical Use Of CDmentioning

confidence: 99%

“…The interaction is complicated, even without the presence of other adsorbing ions that may interact, such as phosphate and calcium. At present, a mechanistic framework is in development to describe such interactions in model systems (Filius et al, 2003;Weng et al, 2006Weng et al, , 2007. In the model, the NOM adsorption is calculated based on a ligand and charge distribution (LCD) approach.…”

Section: Introductionmentioning

confidence: 99%

Nanoparticles in natural systems II: The natural oxide fraction at interaction with natural organic matter and phosphate

Hiemstra

Antelo

Rotterdam

et al. 2010

Geochimica et Cosmochimica Acta

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The use of assemblage models to describe trace element partitioning, speciation, and fate: A review

Groenenberg

Lofts

2014

Enviro Toxic and Chemistry

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Article (refereed) -postprintGroenenberg, Jan E.; Lofts, Stephen. 2014. The use of assemblage models to describe trace element partitioning, speciation, and fate: a review. Environmental Toxicology and Chemistry, 33 (10). 2181-2196. 10.1002/etc.2642 Contact CEH NORA team at noraceh@ceh.ac.ukThe NERC and CEH trademarks and logos ('the Trademarks') are registered trademarks of NERC in the UK and other countries, and may not be used without the prior written consent of the Trademark owner. Running head: Review assemblage models understanding of the behaviour and speciation of trace elements in surface waters [6, 7] 9 groundwaters [8, 9] and soils [10][11][12], rare earth and radionuclide geochemistry [13, 14] and 10 interactions of potential toxic trace elements with biota [15][16][17]. Combination of ion-binding 11 models for the various components into "assemblage models" is a promising way to predict 12 partitioning and speciation of metals and metalloids in natural environments [18][19][20][21] and 13 waste materials and the dynamic behaviour of metals in soils, including transport to surface 14 water [22, 23]. Concurrent with the increase in the number of mechanistic models of ion- 15binding has been an increase in the use of such models in environmental risk and hazard 16 assessment of trace elements [24][25][26]. Increased use of assemblage models for these purposes conceptual underpinning, parameterisation and methods to assess site specific inputs. 22Furthermore, insight is needed on the consequences of choices of concepts, parameterisation, 23and site-specific inputs on the performance and utility of the models. 24Assemblage model conceptAssemblage models combine thermodynamic models for inorganic speciation and 1 mineral equilibria with separate models for ion binding to various reactive components 2 (oxides, clay, organic matter). The ion binding models are based on general thermodynamic 3 principles. However, the complexity of ion binding to heterogeneous complexants requires 4 simplifications in order to obtain practical models [27]. In this paper we will use the term 5 surface complexation for the binding of ions to mineral surfaces and humic ion binding for 6 binding to humics. In general we refer to these models as ion binding models. The models 7 distinguish explicitly between electrostatic and ion-specific binding and account for 8 competition among ions for binding. This allows the models to be applied across wide ranges binding. An alternative is the generalized composite approach, in which binding to the whole 21 assemblage is simulated using a composite binding phase with generic surface sites. The 22 generic surface sites represent average properties of the soil or sediment surface rather than 23 specific minerals [31]. Binding constants and reaction stoichiometries are fit to experimental 24 7 data for the site specific assemblage [32], and are therefore not transferable to other sites. For 1 an overview of applications of the general composite approach one is referred to [31, 33]....

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Modeling the binding of fulvic acid by goethite: the speciation of adsorbed FA molecules

Cited by 96 publications

References 40 publications

Cu2+ and Ca2+adsorption to goethite in the presence of fulvic acids

Cu2+ and Ca2+adsorption to goethite in the presence of fulvic acids

Nanoparticles in natural systems II: The natural oxide fraction at interaction with natural organic matter and phosphate

The use of assemblage models to describe trace element partitioning, speciation, and fate: A review

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