Mechanisms of chromate adsorption on boehmite

Journal of Hazardous Materials

Volumn 281, Issue , 2015, Pages 56-63

  Johnston, Chad P ^a   Chrysochoou, Maria ^a,b  

^a UNIVERSITY OF CONNECTICUT   (United States)

^b NATIONAL TECHNICAL UNIVERSITY OF ATHENS   (Greece)

Author keywords

Aluminum oxides; ATR FTIR; Density functional theory; EXAFS; Surface complexation

Indexed keywords

ADSORPTION; CORUNDUM; DENSITY FUNCTIONAL THEORY; EXTENDED X RAY ABSORPTION FINE STRUCTURE SPECTROSCOPY; FOURIER TRANSFORM INFRARED SPECTROSCOPY; GAMMA RAYS; GROUNDWATER; GROUNDWATER POLLUTION; IONIC STRENGTH; QUANTUM CHEMISTRY; STRETCHING; X RAY ABSORPTION;

ALUMINUM OXIDES; ATR FTIR; ATTENUATED TOTAL REFLECTANCE FOURIER TRANSFORM INFRARED SPECTROSCOPY; EXAFS; EXTENDED X-RAY ABSORPTION FINE STRUCTURE MEASUREMENTS; GROUNDWATER CONTAMINANTS; QUANTUM CHEMICAL CALCULATIONS; SURFACE COMPLEXATION;

CHROMATES;

ALUMINUM OXIDE; CHROMIC ACID; SELENITE; SULFATE; ALUMINUM HYDROXIDE; ALUMINUM OXIDE HYDROXIDE; WATER POLLUTANT;

ADSORPTION; AQUEOUS SOLUTION; BOEHMITE; CHROMATE; CONCENTRATION (COMPOSITION); FTIR SPECTROSCOPY; GIBBS FREE ENERGY; GROUNDWATER POLLUTION; PH; POLLUTANT TRANSPORT; SELENITE; SULFATE;

ADSORPTION; ARTICLE; CONCENTRATION (PARAMETERS); DENSITY FUNCTIONAL THEORY; ENERGY; INFRARED SPECTROSCOPY; IONIC STRENGTH; PH; QUANTUM CHEMISTRY; VIBRATION; X RAY ABSORPTION FINE STRUCTURE SPECTRSCOPY; X RAY ABSORPTION SPECTROSCOPY; CHEMICAL STRUCTURE; CHEMISTRY; OSMOLARITY; WATER POLLUTANT;

ADSORPTION; ALUMINUM HYDROXIDE; ALUMINUM OXIDE; CHROMATES; HYDROGEN-ION CONCENTRATION; MODELS, MOLECULAR; OSMOLAR CONCENTRATION; SPECTROSCOPY, FOURIER TRANSFORM INFRARED; WATER POLLUTANTS, CHEMICAL; X-RAY ABSORPTION SPECTROSCOPY;

EID: 84921965772     PISSN: 03043894     EISSN: 18733336     Source Type: Journal    
DOI: 10.1016/j.jhazmat.2014.05.067     Document Type: Article

References (54)

1. Zhitkovich A. Chromium in drinking water: sources, metabolism, and cancer risks. Chem. Res. Toxicol. 2011, 24:1617-1629.
2. Testa S.M., Guertin J., Jacobs J., Avakian C. Sources of Chromium Contamination in Soil and Groundwater 2004, CRC Press, Boca Raton, FL.
3. Fendorf S.E. Surface reactions of chromium in soils and waters. Geoderma 1995, 67:55-71.
4. Palmer C.D., Puls R.W. Natural attenuation of hexavalent chromium in soils and groundwater 1994, US Environmental Protection Agency, Washington, DC.
5. Rai D., Eary L., Zachara J. Environmental chemistry of chromium. Sci. Total Environ. 1989, 86:15-23.
6. Glorias-Garcia F., Arriaga-Merced J.M., Roa-Morales G., Varela-Guerrero V., Barrera-Díaz C.E., Bilyeu B. Fast reduction of Cr(VI) from aqueous solutions using alumina. J. Ind. Eng. Chem. 2013, 20:2477-2483.
7. Brown G.E., Parks G.A. Sorption of trace elements on mineral surfaces: modern perspectives from spectroscopic studies, and comments on sorption in the marine environment. Int. Geol. Rev. 2001, 43:963-1073.
8. Alvarez-Ayuso E., Garcia-Sanchez A., Querol X. Adsorption of Cr(VI) from synthetic solutions and electroplating wastewaters on amorphous aluminium oxide. J. Hazard. Mater. 2007, 142:191-198.
9. Mesuere K., Fish W. Chromate and oxalate adsorption on goethite. 1. Calibration of surface complexation models. Environ. Sci. Technol. 1992, 26:2357-2364.
10. Catalano J.G., Zhang Z., Park C., Fenter P., Bedzyk M.J. Bridging arsenate surface complexes on the hematite (012) surface. Geochim. Cosmochim. Acta 2007, 71:1883-1897.
11. Villalobos M., Trotz M.A., Leckie J.O. Surface complexation modeling of carbonate effects on the adsorption of Cr(VI), Pb(II), and U(VI) on goethite. Environ. Sci. Technol. 2001, 35:3849-3856.
12. 3. J. Colloid Interface Sci. 2009, 340:153-159.
13. Fritzen M.B., Souza A.J., Silva T.A.G., Souza L., Nome R.A., Fiedler H.D., Nome F. Distribution of hexavalent Cr species across the clay mineral surface-water interface. J.Colloid Interface Sci. 2006, 296:465-471.
14. Ajouyed O., Hurel C., Ammari M., Allal L.B., Marmier N. Sorption of Cr(VI) onto natural iron and aluminum (oxy) hydroxides: effects of pH, ionic strength and initial concentration. J. Hazard. Mater. 2010, 174:616-622.
15. Musorrafiti M.J., Konek C.T., Hayes P.L., Geiger F.M. Interaction of chromium(VI) with the α-aluminum oxide-water interface. J. Phys. Chem. C 2008, 112:2032-2039.
16. Granados-Correa F., Jiménez-Becerril J. Chromium(VI) adsorption on boehmite. J. Hazard. Mater. 2009, 162:1178-1184.
17. Aide M.T., Cummings M.F. The influence of pH and phosphorus on the adsorption of chromium(VI) on boehmite. Soil Sci. 1997, 162:599-603.
18. 3. Colloids Surf., A: Physicochem. Eng. Aspects 2000, 166:251-259.
19. 2 comparison of three surface complexation models. Geochim. Cosmochim. Acta 2011, 75:7006-7017.
20. Peak D. Adsorption mechanisms of selenium oxyanions at the aluminum oxide/water interface. J. Colloid Interface Sci. 2006, 303:337-345.
21. Catalano J.G., Park C., Fenter P., Zhang Z. Simultaneous inner- and outer-sphere arsenate adsorption on corundum and hematite. Geochim. Cosmochim. Acta 2008, 72:1986-2004.
22. Johnston C.P., Chrysochoou M. Investigation of chromate coordination on ferrihydrite by in situ ATR-FTIR spectroscopy and theoretical frequency calculations. Environ. Sci. Technol. 2012, 46:5851-5858.
23. Hsia T., Lo S., Lin C., Lee D. Chemical and spectroscopic evidence for specific adsorption of chromate on hydrous iron oxide. Chemosphere 1993, 26:1897-1904.
24. Hug S.J. In situ Fourier transform infrared measurements of sulfate adsorption on hematite in aqueous solutions. J. Colloid Interface Sci. 1997, 188:415-422.
25. Fendorf S., Eick M.J., Grossl P., Sparks D.L. Arsenate and chromate retention mechanisms on goethite. 1. Surface structure. Environ. Sci. Technol. 1997, 31:315-320.
26. Mikami N., Sasaki M., Kikuchi T., Yasunaga T. Kinetics of adsorption-desorption of chromate on. gamma.-alumina surface using the pressure-jump technique. J. Phys. Chem. 1983, 87:5245-5248.
27. Wefers K., Misra C. Oxides and Hydroxides of Aluminum 1987, 92:1987. Aluminum Company of America, (Report).
28. Dickie S.A., McQuillan A.J. In-situ infrared spectroscopic studies of adsorption processes on boehmite particle films: exchange of surface hydroxyl groups observed upon chelation by acetylacetone. Langmuir 2004, 20:11630-11636.
29. 3/water interface. Spectrochim. Acta, A: Mol. Biomol. Spectrosc. 1999, 55:861-872.
30. Frisch M., Trucks G., Schlegel H.B., Scuseria G., Robb M., Cheeseman J., Scalmani G., Barone V., Mennucci B., Petersson G. Gaussian 09, Revision A. 02 2009, 270:271. Gaussian, Inc., Wallingford, CT.
31. 2O interface estimation of Gibbs free energies. Environ. Sci. Technol. 2006, 40:7717-7724.
32. Kwon K.D., Kubicki J.D. Molecular orbital theory study on surface complex structures of phosphates to iron hydroxides: calculation of vibrational frequencies and adsorption energies. Langmuir 2004, 20:9249-9254.
33. Kubicki J., Kwon K., Paul K., Sparks D. Surface complex structures modelled with quantum chemical calculations: carbonate, phosphate, sulphate, arsenate and arsenite. Eur. J. Soil Sci. 2007, 58:932-944.
34. Becke A.D. Density-functional thermochemistry. III. The role of exact exchange. J. Chem. Phys. 1993, 98:5648.
35. Becke A.D. A new mixing of Hartree-Fock and local density-functional theories. J. Chem. Phys. 1993, 98:1372.
36. Lee C., Yang W., Parr R.G. Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density. Phys. Rev. B: Condens. Matter 1988, 37:785.
37. Hay P.J., Wadt W.R. Ab initio effective core potentials for molecular calculations. Potentials for K to Au including the outermost core orbitals. J. Chem. Phys. 1985, 82:299.
38. Cances E., Mennucci B., Tomasi J. A new integral equation formalism for the polarizable continuum model: theoretical background and applications to isotropic and anisotropic dielectrics. J. Chem. Phys. 1997, 107:3032.
39. Ochterski J.W. Thermochemistry in Gaussian 2000, 1-17. Gaussian Inc., Pittsburgh, PA.
40. Ravel B., Newville M. ATHENA, ARTEMIS, HEPHAESTUS: data analysis for X-ray absorption spectroscopy using IFEFFIT. J. Synchrotron Radiat. 2005, 12:537-541.
41. Rehr J., Albers R., Zabinsky S. High-order multiple-scattering calculations of X-ray-absorption fine structure. Phys. Rev. Lett. 1992, 69:3397.
42. Pandya K. Multiple-scattering effects in X-ray-absorption fine structure: chromium in a tetrahedral configuration. Phys. Rev. B: Condens. Matter 1994, 50:509-515.
43. Hoffmann M., Darab J., Fulton J. An infrared and X-ray absorption study of the equilibria and structures of chromate, bichromate, and dichromate in ambient aqueous solutions. J. Phys. Chem. A 2001, 105:1772-1782.
44. Wijnja H., Schulthess C. Vibrational spetroscopy study of selenate and sulfateadsorption mechanisms on Fe and Al (hydr)oxide surfaces. J. Colloid Interface Sci. 2000, 229:286-297.
45. Peak D., Ford R.G., Sparks D.L. An in situ ATR-FTIR investigation of sulfate bonding mechanisms on goethite. J. Colloid Interface Sci. 1999, 218:289-299.
46. Cieślak-Golonka M. Spectroscopy of chromium(VI) species. Coord. Chem. Rev. 1991, 109:223-249.
47. Pena M., Meng X., Korfiatis G., Jing C. Adsorption mechanism of arsenic on nanocrystalline titanium dioxide. Environ. Sci. Technol. 2006, 15:1257-1262.
48. Nakamoto K., Fujita J., Tanaka S., Kobayashi M. Infrared spectra of metallic complexes. IV. Comparison of the infrared spectra of unidentate and bidentate metallic complexes. J. Am. Chem. Soc. 1957, 79:4904-4908.
49. Arai Y., Elzinga E.J., Sparks D.L. X-ray absorption spectroscopic investigation of arsenite and arsenate adsorption at the aluminum oxide-water interface. J. Colloid Interface Sci. 2001, 235:80-88.
50. Wijnja H., Schulthess C. Carbonate adsorption mechanism on goethite studied with ATR-FTIR, DRIFT, and proton coadsorption measurements. Soil Sci. Soc. Am. J. 2001, 65:324-330.
51. Hiemstra T., van Riemsdijk W.H. Adsorption and surface oxidation of Fe(II) on metal (hydr) oxides. Geochim. Cosmochim. Acta 2007, 71:5913-5933.
52. Motta A., Gaigeot M., Costa D. Ab initio molecular dynamics study of the AlOOH boehmite/water interface: role of steps in interfacial Grotthus proton transfers. J. Phys. Chem. C 2012, 116:12514-12524.
53. 3 catalyst. Stud. Surf. Sci. Catal. 2006, 162:393-400.
54. Chiche D., Chizallet C., Durupthy O., Chanéac C., Revel R., Raybaud P., Jolivet J. Growth of boehmite particles in the presence of xylitol: morphology oriented by the nest effect of hydrogen bonding. Phys. Chem. Chem. Phys. 2009, 11:11310-11323.