Staff Publications

Staff Publications

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    'Staff publications' is the digital repository of Wageningen University & Research

    'Staff publications' contains references to publications authored by Wageningen University staff from 1976 onward.

    Publications authored by the staff of the Research Institutes are available from 1995 onwards.

    Full text documents are added when available. The database is updated daily and currently holds about 240,000 items, of which 72,000 in open access.

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Record number 412719
Title The interaction of boron with goethite: Experiments and CD-MUSIC modeling
Author(s) Goli, E.; Rahnemaie, R.; Hiemstra, T.; Malakouti, M.J.
Source Chemosphere 82 (2011)10. - ISSN 0045-6535 - p. 1475 - 1481.
Department(s) Sub-department of Soil Quality
Chair Soil Chemistry and Chemical Soil Quality
Publication type Refereed Article in a scientific journal
Publication year 2011
Keyword(s) surface structural approach - solid-solution interface - charge-distribution - ion adsorption - boric-acid - humic-acid - silicic-acid - ferric-oxide - soils - desorption
Abstract Boron (B) is an essential element for plants and animals growth that interacts with mineral surfaces regulating its bioavailability and mobility in soils, sediments, and natural ecosystems. The interaction with mineral surfaces is quite important because of a narrow range between boron deficiency and toxicity limits. In this study, the interaction of boric acid with goethite (a-FeOOH) was measured in NaNO3 background solution as a function of pH, ionic strength, goethite and boron concentration representing as adsorption edges and isotherms. Boron adsorption edges showed a bell-shaped pattern with maximum adsorption around pH 8.50, whereas adsorption isotherms were rather linear. The adsorption data were successfully described with the CD-MUSIC model in combination with the Extended Stern (ES) model. The charge distribution (CD) of inner-sphere boron surface complexes was calculated from the geometry optimized with molecular orbital calculations applying density functional theory (MO/DFT). The CD modeling suggested dominant binding of boric acid as a trigonal inner-sphere complex with minor contributions of a tetrahedral inner-sphere complex (at high pH) and a trigonal outer-sphere complex (at low pH). The interpretation with the CD model is consistent with the spectroscopic observations. © 2010 Elsevier Ltd.
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