Modeling the binding of fulvic acid by goethite: the speciation of adsorbed FA molecules
Under natural conditions, the adsorption of ions at the solid–water interface may be strongly influenced by the adsorption of organic matter. In this paper, we describe the adsorption of fulvic acid (FA) by metal(hydr)oxide surfaces with a heterogeneous surface complexation model, the ligand and cha...
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| Published in | Geochimica et cosmochimica acta Vol. 67; no. 8; pp. 1463 - 1474 |
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| Main Authors | , , , , |
| Format | Journal Article |
| Language | English |
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Elsevier Ltd
15.04.2003
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| Subjects | |
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| Abstract | Under natural conditions, the adsorption of ions at the solid–water interface may be strongly influenced by the adsorption of organic matter. In this paper, we describe the adsorption of fulvic acid (FA) by metal(hydr)oxide surfaces with a heterogeneous surface complexation model, the ligand and charge distribution (LCD) model. The model is a self-consistent combination of the nonideal competitive adsorption (NICA) equation and the CD-MUSIC model. The LCD model can describe simultaneously the concentration, pH, and salt dependency of the adsorption with a minimum of only three adjustable parameters. Furthermore, the model predicts the coadsorption of protons accurately for an extended range of conditions. Surface speciation calculations show that almost all hydroxyl groups of the adsorbed FA molecules are involved in outer sphere complexation reactions. The carboxylic groups of the adsorbed FA molecule form inner and outer sphere complexes. Furthermore, part of the carboxylate groups remain noncoordinated and deprotonated. |
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| AbstractList | Under natural conditions, the adsorption of ions at the solid-water interface may be strongly influenced by the adsorption of organic matter. In this paper, we describe the adsorption of fulvic acid (FA) by metal (hydr)oxide surfaces with a heterogeneous surface complexation model, the ligand and charge distribution (LCD) model. The model is a self-consistent combination of the nonideal competitive adsorption (NICA) equation and the CD-MUSIC model. The LCD model can describe simultaneously the concentration, pH, and salt dependency of the adsorption with a minimum of only three adjustable parameters. Furthermore, the model predicts the coadsorption of protons accurately for an extended range of conditions. Surface speciation calculations show that almost all hydroxyl groups of the adsorbed FA molecules are involved in outer sphere complexation reactions. The carboxylic groups of the adsorbed FA molecule form inner and outer sphere complexes. Furthermore, part of the carboxylate groups remain noncoordinated and deprotonated. Copyright (C) 2003 Elsevier Science Ltd. Under natural conditions, the adsorption of ions at the solid–water interface may be strongly influenced by the adsorption of organic matter. In this paper, we describe the adsorption of fulvic acid (FA) by metal(hydr)oxide surfaces with a heterogeneous surface complexation model, the ligand and charge distribution (LCD) model. The model is a self-consistent combination of the nonideal competitive adsorption (NICA) equation and the CD-MUSIC model. The LCD model can describe simultaneously the concentration, pH, and salt dependency of the adsorption with a minimum of only three adjustable parameters. Furthermore, the model predicts the coadsorption of protons accurately for an extended range of conditions. Surface speciation calculations show that almost all hydroxyl groups of the adsorbed FA molecules are involved in outer sphere complexation reactions. The carboxylic groups of the adsorbed FA molecule form inner and outer sphere complexes. Furthermore, part of the carboxylate groups remain noncoordinated and deprotonated. |
| Author | Lumsdon, David G. Filius, Jeroen D. van Riemsdijk, Willem H. Hiemstra, Tjisse Meeussen, Johannes C.L. |
| Author_xml | – sequence: 1 givenname: Jeroen D. surname: Filius fullname: Filius, Jeroen D. organization: Department of Environmental Sciences, Sub-department Soil Quality, Wageningen University, P.O.B. 8005, 6700 EC Wageningen, The Netherlands – sequence: 2 givenname: Johannes C.L. surname: Meeussen fullname: Meeussen, Johannes C.L. organization: Macaulay Land Use Research Institute, Craigiebuckler Aberdeen AB15 8QH, Scotland, UK – sequence: 3 givenname: David G. surname: Lumsdon fullname: Lumsdon, David G. organization: Macaulay Land Use Research Institute, Craigiebuckler Aberdeen AB15 8QH, Scotland, UK – sequence: 4 givenname: Tjisse surname: Hiemstra fullname: Hiemstra, Tjisse organization: Department of Environmental Sciences, Sub-department Soil Quality, Wageningen University, P.O.B. 8005, 6700 EC Wageningen, The Netherlands – sequence: 5 givenname: Willem H. surname: van Riemsdijk fullname: van Riemsdijk, Willem H. email: Willem.VanRiemsdijk@bodsch.benp.wau.nl organization: Department of Environmental Sciences, Sub-department Soil Quality, Wageningen University, P.O.B. 8005, 6700 EC Wageningen, The Netherlands |
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| Snippet | Under natural conditions, the adsorption of ions at the solid–water interface may be strongly influenced by the adsorption of organic matter. In this paper, we... Under natural conditions, the adsorption of ions at the solid-water interface may be strongly influenced by the adsorption of organic matter. In this paper, we... |
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| SubjectTerms | charge competitive adsorption humic substances hydrous oxides ion-binding iron-oxide natural organic-matter nica-donnan model proton binding surface complexation |
| Title | Modeling the binding of fulvic acid by goethite: the speciation of adsorbed FA molecules |
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