Anion adsorption on oxide surfaces: Inclusion of the water dipole in modeling the electrostatics of ligand exchange

Environmental Science and Technology

Volumn 40, Issue 1, 2006, Pages 263-271

  Sverjensky, Dimitri A ^a   Fukushi, Keisuke ^a  

^a JOHNS HOPKINS UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; COMPUTER SIMULATION; ELECTROSTATICS; IONIC STRENGTH; OXIDES; PH EFFECTS; SPECTROSCOPIC ANALYSIS; TOXIC MATERIALS;

ANION ADSORPTION; OXIDE SURFACES; SURFACE COMPLEXATION; WATER DIPOLES;

NEGATIVE IONS;

ANION; ARSENIC TRIOXIDE; LIGAND; OXALIC ACID; OXIDE; SULFATE; WATER;

ADSORPTION; ANION; SPECIATION (CHEMISTRY);

ADSORPTION; ARTICLE; CHEMICAL REACTION; COMPLEX FORMATION; DESORPTION; DIPOLE; ELECTRICITY; ENVIRONMENTAL PARAMETERS; IONIC STRENGTH; LABORATORY; LIGAND EXCHANGE; MODEL; PH; PREDICTION; SPECTROSCOPY;

ADSORPTION; ANIONS; ARSENITES; ELECTROSTATICS; HYDROGEN-ION CONCENTRATION; LIGANDS; MODELS, CHEMICAL; OSMOLAR CONCENTRATION; OXALATES; OXIDES; SOLUBILITY; SPECTRUM ANALYSIS; SULFATES; SURFACE PROPERTIES; WATER POLLUTANTS, CHEMICAL;

EID: 30344479440     PISSN: 0013936X     EISSN: None     Source Type: Journal    
DOI: 10.1021/es051521v     Document Type: Article

References (48)

1. Dixit, S.; Hering, J. G. Comparison of arsenic(V) and arsenic (III) sorption onto iron oxide minerals: implications for arsenic mobility. Environ. Sci. Technol. 2003, 37, 4182-4189.
2. Drever, J. I. The geochemistry of natural waters, 3rd ed.; Prentice Hall: Upper Saddle River, NJ, 1997.
3. Kraemer, S. M. Iron oxide dissolution and solubility in the presence of siderophores. Aquat. Sci. 2004, 66, 3-18.
4. Connor, P. A.; McQuillan, A. J. Phosphate adsorption onto TiO2 from aqueous solutions: an in situ internal reflection infrared spectroscopic study. Langmuir 1999, 15, 2916-2921.
5. Hazen, R. M.; Sholl, D. S. Chiral selection on inorganic crystal surfaces. Nature 2003, 2, 367-373.
6. Arai, Y.; Elzinga, E.; 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.
7. 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.
8. Persson, P.; Axe, K. Adsorption of oxalate and malonate at the water-goethite interface: molecular surface speciation from IR spectroscopy. Geochim. Cosmochim. Acta 2005, 69, 541-552.
9. Johnson, B. B.; Sjoberg, S.; Persson, P. Surface complexation of mellitic acid to goethite: an attenuated total reflection Fourier transform infrared study. Langmuir 2004, 20, 823-828.
10. Yoon, T. H.; Johnson, S. B.; Musgrave, C. B.; Brown, G. E., Jr. Adsorption of organic matter at mineral/water interfaces: I. ATR-FTIR spectroscopic and quantum chemical study of oxalate adsorbed at boehmite/water and corundum/water interfaces. Geochim. Cosmochim. Acta 2004, 60, 4505-4518.
11. Suarez, D. L.; Goldberg, S.; Su, C. In Mineral-Water Interfacial Reactions: Kinetics and Mechanisms; Sparks, D. L., Grundl, T. J., Eds.; ACS Symposium Series 715, American Chemical Society: Washington, DC, 1998; pp 136-178.
12. Hiemstra, T.; van Riemsdijk, W. H. Surface structural ion adsorption modeling of competitive binding of oxyanions by metal (hydr)oxides. J. Colloid Interface Sci. 1999, 210, 182-193.
13. Blesa, M. A.; Weisz, A. D.; Morando, P. J.; Salfity, J. A.; Magaz, G. E.; Regazzoni, A. E. The interaction of metal oxide surfaces with complexing agents dissolved in water. Coord. Chem. Rev. 2000, 196, 31-63.
14. Goldberg, S.; Johnston, C. T. Mechanisms of arsenic adsorption on amorphous oxides evaluated using macroscopic measurements, vibrational spectroscopy, and surface complexation modeling. J. Colloid Interface Sci. 2001, 234, 204-216.
15. Richter, A.; Brendler, V.; Nebelung, C. Blind prediction of Cu(II) sorption onto goethite: current capabilities of diffuse double layer model. Geochim. Cosmochim. Acta 2005, 69, 2725-2734.
16. Davis, J. A.; Meece, D. E.; Kohler, M.; Curtis, G. P. Approaches to surface complexation modeling of uranium (VI) adsorption on aquifer sediments. Geochim. Cosmochim. Acta 2004, 68, 3621-3642.
17. Arai, Y.; Sparks, D. L.; Davis, J. A. Effects of dissolved carbonate on arsenate adsorption and surface speciation at the hematite-water interface. Environ. Sci. Technol. 2004, 38, 817-824.
18. Villalobos, M.; Leckie, J. O. Surface complexation modeling and FTIR study of carbonate adsorption to goethite. J. Colloid Interface Sci. 2001, 235, 15-32.
19. Dzombak, D. A.; Morel, F. M. M. Surface Complexation Modeling; John Wiley and Sons: New York, 1990.
20. Criscenti, L. J.; Sverjensky, D. A. A single-site model for divalent and heavy metal adsorption over a range of metal concentrations. J. Colloid Interface Sci. 2002, 253, 329-352.
21. Sverjensky, D. A.; Sahai, N. Theoretical prediction of single-site surface protonation equilibrium constants for oxides and silicates in water. Geochim. Cosmochim. Acta 1996, 60, 3773-3798.
22. James, R. O.; Healy, T. W. Adsorption of hydrolyzable metal ions at the oxide-water interface III. A thermodynamic model of adsorption. J. Colloid Interface Sci. 1972, 40, 65-81.
23. Yates, D. E.; Levine, S.; Healy, T. W. Site-binding model of the electrical double layer at the oxide/water interface. J. Chem. Soc., Faraday Trans. 1974, 70, 1807-1818.
24. Huang, C.; Stumm, W. Specific Adsorption of Cations on Hydrous γ-A12O3. J. Colloid Interface Sci. 1973, 43, 409-420.
25. Schindler, P. W. In Adsorption of Inorganics at Solid-Liquid Interfaces; Anderson, M. A., Rubin, A. J., Eds.; Ann Arbor Science Publishers: Ann Arbor, MI, 1981; pp 1-47.
26. Davis, J. A.; Leckie, J. O. Surface ionization and complexation at the oxide/water interface 3. Adsorption of anions. J. Colloid Interface Sci. 1980, 74, 32-43.
27. Hiemstra, T.; van Riemsdijk, W. H. A surface structural approach to ion adsorption: The charge distribution (CD) model. J. Colloid Interface Science 1996, 179, 488-508.
28. Stumm, W. Chemistry of the Solid-Water Interface; John Wiley and Sons., Inc.: New York, 1992.
29. Bockris, J. O. M.; Reddy, A. K. N. Modern Electrochemistry, Plenum Press: New York, 1970; Vol. 2.
30. Grossl, P.; Eick, M. J.; Sparks, D. L.; Goldberg, S.; Ainsworth, C. C. Arsenate and chromate retention mechanisms on goethite. 2. Kinetic evaluation using a pressure-jump relaxation technique. Environ. Sci. Technol. 1997, 31, 321-326.
31. Zhang, P. C.; Sparks, D. L. Kinetics and mechanisms of molybdate adsorption/desorption at the goethite/water interface using pressure-jump relaxation. Soil Sci. Soc. Am. J. 1990, 53, 1028-1034.
32. Badyal, Y. S.; Saboungi, M.-L.; Price, D. L.; Shastri, S. D.; Haeffner, D. R. Electron distribution in water. J. Chem. Phys. 2000, 112, 9206-9208.
33. Sverjensky, D. A. Interpretation and prediction of triple-layer model capacitances and the structure of the oxide-electrolyte-water interface. Geochim. Cosmochim. Acta 2001, 65, 3641-3653.
34. Myneni, S. In Sulfate Minerals - Crystallography; Alpers, C. N., Jambor, J. L., Nordstrom, D. K., Eds.; Mineralogical Society of America: Washington, DC, 2000; Vol. 40, pp 113-172.
35. Wijnja, H.; Schulthess, C. P. Vibrational spectroscopy study of selenate and sulfate adsorption mechanisms on Fe and Al (Hydr)oxide surfaces. J. Colloid Interface Sci. 2000, 229, 286-297.
36. Ali, M. A.; Dzombak, D. A. Competitive adsorption of simple organic acids and sulfate on goethite. Environ. Sci. Technol. 1996, 30, 1061-1071.
37. Rietra, R. P. J. J.; Hiemstra, T.; van Riemsdijk, W. H. Comparison of selenate and sulfate adsorption on goethite. J. Colloid Interface Sci. 2001, 240, 384-390.
38. Yates, D. E.; Healy, T. W. Mechanism of anion adsorption at the ferric and chromic oxide/water interfaces. J. Colloid Interface Sci. 1975, 52, 222-228.
39. Rietra, R. P. J. J. The relation between molecular structure and ion adsorption on goethite; Ph.D. Thesis, Wageningen University, 2001.
40. Hansmann, D. D.; Anderson, M. A. Using electrophoresis in modeling sulfate, selenite, and phosphate adsorption onto goethite. Environ. Sci. Technol. 1985, 19, 544-551.
41. Mesuere, K.; Fish, W. Chromate and oxalate adsorption on goethite. 1. Calibration of surface complexation models. Environ. Sci. Technol. 1992, 26, 2357-2364.
42. Mesuere, K.; Fish, W. Chromate and oxalate adsorption on goethite. 2. Surface complexation modeling of competitive adsorption. Environ. Sci. Technol. 1992, 26, 2365-2370.
43. Johnson, S. B.; Yoon, T. H.; Kokar, B. D.; Brown, G. E., Jr. Adsorption of organic matter at mineral/water interfaces: 3. Implications of surface dissolution for adsorption of oxalate. Langmuir 2004, 20, 11480-11492.
44. Djafer, M.; Khandal, R. K.; Terce, M. Interactions between different anions and the goethite surface as seen by different methods. Colloids Surf. 1991, 54.
45. Sverjensky, D. A. Prediction of surface charge on oxides in salt solutions: revisions for 1:1 (M+L-) electrolytes. Geochim. Cosmochim. Acta 2005, 69, 225-257.
46. Ali, M. A.; Dzombak, D. A. Interaction of Cu, organic acids and sulfate in goethite suspensions. Geochim. Cosmochim. Acta 1996, 60, 5045-5053.
47. Nordstrom, D. K.; Archer, D. G. Arsenic thermodynamic data and environmental geochemistry. In Arsenic in Ground Water: Geochemistry and Occurrence; Welch, A. H., Stollenwerk, K. G., Eds.; Kluwer Academic Publishers: Boston, 2003; pp 1-25.
48. Smith, R. M.; Martell, A. E. NIST Critically Selected Stability Constants of Metal Complexes Database; U. S. Department of Commerce, Technology Administration: U.S. Governement Printing Office: Washington, DC, 2004.