Glyphosate adsorption on montmorillonite: An experimental and theoretical study of surface complexes
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 multist...
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2010
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| LEADER | 15668caa a22017537a 4500 | ||
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| 001 | PAPER-7611 | ||
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| 005 | 20230518203722.0 | ||
| 008 | 190411s2010 xx ||||fo|||| 00| 0 eng|d | ||
| 024 | 7 | |2 scopus |a 2-s2.0-77957016422 | |
| 040 | |a Scopus |b spa |c AR-BaUEN |d AR-BaUEN | ||
| 030 | |a ACLSE | ||
| 100 | 1 | |a Khoury, G.A. | |
| 245 | 1 | 0 | |a Glyphosate adsorption on montmorillonite: An experimental and theoretical study of surface complexes |
| 260 | |c 2010 | ||
| 270 | 1 | 0 | |m dos Santos Afonso, M.; 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; email: dosantos@qi.fcen.uba.ar |
| 506 | |2 openaire |e Política editorial | ||
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| 520 | 3 | |a 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. |l eng | |
| 593 | |a Division of Science, The Pennsylvania State University, Berks Campus, Tulpehocken Rd., Reading, PA 19610, United States | ||
| 593 | |a Centro de Tecnología de Recursos Minerales y Cerámica (CETMIC), Cno. Centenario y 506, Gonnet 1897, Argentina | ||
| 593 | |a 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 | ||
| 690 | 1 | 0 | |a ADSORPTION |
| 690 | 1 | 0 | |a CLAY MINERAL |
| 690 | 1 | 0 | |a GLYPHOSATE |
| 690 | 1 | 0 | |a HERBICIDE |
| 690 | 1 | 0 | |a MONTMORILLONITE |
| 690 | 1 | 0 | |a ADSORPTION ENERGIES |
| 690 | 1 | 0 | |a ALUMINOL |
| 690 | 1 | 0 | |a AMINO MOIETY |
| 690 | 1 | 0 | |a BASAL SPACING |
| 690 | 1 | 0 | |a BIDENTATE COMPLEXES |
| 690 | 1 | 0 | |a EXTERNAL SURFACES |
| 690 | 1 | 0 | |a GLYPHOSATES |
| 690 | 1 | 0 | |a HERBICIDE GLYPHOSATE |
| 690 | 1 | 0 | |a HIGH CONCENTRATION |
| 690 | 1 | 0 | |a INTERLAYER SPACES |
| 690 | 1 | 0 | |a INTERNAL SURFACES |
| 690 | 1 | 0 | |a MACROSCOPIC BEHAVIORS |
| 690 | 1 | 0 | |a MINERAL INTERACTIONS |
| 690 | 1 | 0 | |a MOLECULAR MODELING TECHNIQUES |
| 690 | 1 | 0 | |a MONODENTATES |
| 690 | 1 | 0 | |a MONTMORILLONITE |
| 690 | 1 | 0 | |a MULTI-STEP |
| 690 | 1 | 0 | |a NEGATIVE VALUES |
| 690 | 1 | 0 | |a PH DEPENDENCE |
| 690 | 1 | 0 | |a PH VALUE |
| 690 | 1 | 0 | |a PHOSPHONATES |
| 690 | 1 | 0 | |a PRESENCE OF WATER |
| 690 | 1 | 0 | |a SILANOL GROUPS |
| 690 | 1 | 0 | |a SURFACE COMPLEX |
| 690 | 1 | 0 | |a THEORETICAL MODELS |
| 690 | 1 | 0 | |a THEORETICAL STUDY |
| 690 | 1 | 0 | |a WATER MOLECULE |
| 690 | 1 | 0 | |a XPS |
| 690 | 1 | 0 | |a XPS ANALYSIS |
| 690 | 1 | 0 | |a XRD PATTERNS |
| 690 | 1 | 0 | |a ADSORPTION |
| 690 | 1 | 0 | |a COMPLEXATION |
| 690 | 1 | 0 | |a DYES |
| 690 | 1 | 0 | |a HERBICIDES |
| 690 | 1 | 0 | |a MINERALS |
| 690 | 1 | 0 | |a MOLECULES |
| 690 | 1 | 0 | |a SILICATE MINERALS |
| 690 | 1 | 0 | |a WEED CONTROL |
| 690 | 1 | 0 | |a X RAY DIFFRACTION |
| 690 | 1 | 0 | |a X RAY DIFFRACTION ANALYSIS |
| 690 | 1 | 0 | |a X RAY PHOTOELECTRON SPECTROSCOPY |
| 690 | 1 | 0 | |a CLAY MINERALS |
| 690 | 1 | 0 | |a ADSORPTION |
| 690 | 1 | 0 | |a COMPUTER SIMULATION |
| 690 | 1 | 0 | |a CONCENTRATION (COMPOSITION) |
| 690 | 1 | 0 | |a EXPERIMENTAL MINERALOGY |
| 690 | 1 | 0 | |a GLYPHOSATE |
| 690 | 1 | 0 | |a ISOTHERM |
| 690 | 1 | 0 | |a MICROSTRUCTURE |
| 690 | 1 | 0 | |a MONTMORILLONITE |
| 690 | 1 | 0 | |a NUMERICAL MODEL |
| 690 | 1 | 0 | |a THEORETICAL STUDY |
| 690 | 1 | 0 | |a X-RAY DIFFRACTION |
| 690 | 1 | 0 | |a X-RAY SPECTROSCOPY |
| 650 | 1 | 7 | |2 spines |a PH |
| 700 | 1 | |a Gehris, T.C. | |
| 700 | 1 | |a Tribe, L. | |
| 700 | 1 | |a Torres Sánchez, R.M. | |
| 700 | 1 | |a dos Santos Afonso, M. | |
| 773 | 0 | |d 2010 |g v. 50 |h pp. 167-175 |k n. 2 |p Appl. Clay Sci. |x 01691317 |w (AR-BaUEN)CENRE-3758 |t Applied Clay Science | |
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