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Abstract:

In this study we perform X-ray diffraction and XPS analysis to study the adsorption of the herbicide glyphosate on montmorillonite. Structures of the surface complexes are proposed based on the XPS and XRD patterns and explored using molecular modeling techniques. Adsorption isotherms showed multistep profiles at all pHs studied, indicating the adsorption on aluminol and/or silanol groups of the external surface and in the interlayer space. PMG intercalation was indicated by the XRD patterns. The increase of the basal spacing as a function of the number of water molecules in the calculations indicated the appropriateness of the theoretical model to simulate macroscopic behaviors of the water/clay mineral interactions. Final conformations of the system determined by molecular mechanics indicated that the charged amino moiety was attracted by the negative surfaces of the interlayer space in absence or presence of water molecules, with marked pH dependence. Negative values of the estimated adsorption energies at all pH values studied suggested that glyphosate molecules were adsorbed via the amino moiety or through monodentate or bidentate complexes formed between the phosphonate moiety and the internal surfaces of the clay mineral, explaining the basal spacing changes at high concentrations of PMG. © 2010 Elsevier B.V.

Registro:

Documento: Artículo
Título:Glyphosate adsorption on montmorillonite: An experimental and theoretical study of surface complexes
Autor:Khoury, G.A.; Gehris, T.C.; Tribe, L.; Torres Sánchez, R.M.; dos Santos Afonso, M.
Filiación:Division of Science, The Pennsylvania State University, Berks Campus, Tulpehocken Rd., Reading, PA 19610, United States
Centro de Tecnología de Recursos Minerales y Cerámica (CETMIC), Cno. Centenario y 506, Gonnet 1897, Argentina
INQUIMAE and Departamento de Química Inorgánica, Analítica y Química Física, Universidad de Buenos Aires, Facultad de Ciencias Exactas y Naturales, Ciudad Universitaria Pabellón II 3er Piso, C1428EHA Buenos Aires, Argentina
Palabras clave:Adsorption; Clay mineral; Glyphosate; Herbicide; Montmorillonite; Adsorption energies; Aluminol; Amino moiety; Basal spacing; Bidentate complexes; External surfaces; Glyphosates; Herbicide glyphosate; High concentration; Interlayer spaces; Internal surfaces; Macroscopic behaviors; Mineral interactions; Molecular modeling techniques; Monodentates; Montmorillonite; Multi-step; Negative values; PH dependence; pH value; Phosphonates; Presence of water; Silanol groups; Surface complex; Theoretical models; Theoretical study; Water molecule; XPS; XPS analysis; XRD patterns; Adsorption; Complexation; Dyes; Herbicides; Minerals; Molecules; Silicate minerals; Weed control; X ray diffraction; X ray diffraction analysis; X ray photoelectron spectroscopy; Clay minerals; adsorption; computer simulation; concentration (composition); experimental mineralogy; glyphosate; isotherm; microstructure; montmorillonite; numerical model; pH; theoretical study; X-ray diffraction; X-ray spectroscopy
Año:2010
Volumen:50
Número:2
Página de inicio:167
Página de fin:175
DOI: http://dx.doi.org/10.1016/j.clay.2010.07.018
Título revista:Applied Clay Science
Título revista abreviado:Appl. Clay Sci.
ISSN:01691317
CODEN:ACLSE
Registro:https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_01691317_v50_n2_p167_Khoury

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Citas:

---------- APA ----------
Khoury, G.A., Gehris, T.C., Tribe, L., Torres Sánchez, R.M. & dos Santos Afonso, M. (2010) . Glyphosate adsorption on montmorillonite: An experimental and theoretical study of surface complexes. Applied Clay Science, 50(2), 167-175.
http://dx.doi.org/10.1016/j.clay.2010.07.018
---------- CHICAGO ----------
Khoury, G.A., Gehris, T.C., Tribe, L., Torres Sánchez, R.M., dos Santos Afonso, M. "Glyphosate adsorption on montmorillonite: An experimental and theoretical study of surface complexes" . Applied Clay Science 50, no. 2 (2010) : 167-175.
http://dx.doi.org/10.1016/j.clay.2010.07.018
---------- MLA ----------
Khoury, G.A., Gehris, T.C., Tribe, L., Torres Sánchez, R.M., dos Santos Afonso, M. "Glyphosate adsorption on montmorillonite: An experimental and theoretical study of surface complexes" . Applied Clay Science, vol. 50, no. 2, 2010, pp. 167-175.
http://dx.doi.org/10.1016/j.clay.2010.07.018
---------- VANCOUVER ----------
Khoury, G.A., Gehris, T.C., Tribe, L., Torres Sánchez, R.M., dos Santos Afonso, M. Glyphosate adsorption on montmorillonite: An experimental and theoretical study of surface complexes. Appl. Clay Sci. 2010;50(2):167-175.
http://dx.doi.org/10.1016/j.clay.2010.07.018