Surface complexation modeling for sulfate adsorption on ferrihydrite consistent with in situ infrared spectroscopic observations

Applied Geochemistry

Volumn 36, Issue , 2013, Pages 92-103

  Fukushi, Keisuke ^a   Aoyama, Kazuki ^a   Yang, Chen ^a   Kitadai, Norio ^a,b   Nakashima, Satoru ^b  

^a KANAZAWA UNIVERSITY   (Japan)

^b OSAKA UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION CAPACITIES; ELECTRIC FIELD STRENGTH; ENVIRONMENTAL CONDITIONS; INFRARED SPECTROSCOPIC; NEGATIVE SURFACE CHARGES; SPECTROSCOPIC INFORMATION; SULFATE CONCENTRATIONS; SURFACE COMPLEXATION MODELING;

ADSORPTION; COMPLEXATION; DYES; ELECTRIC FIELDS; EQUILIBRIUM CONSTANTS; FORECASTING; IONIC STRENGTH; SPHERES; TITRATION;

SULFUR COMPOUNDS;

ADSORPTION; COMPLEXATION; ELECTRIC FIELD; FERRIHYDRITE; IN SITU MEASUREMENT; INFRARED SPECTROSCOPY; PH; POLLUTANT TRANSPORT; SULFATE; TRACE ELEMENT; WATER POLLUTION;

EID: 84880832314     PISSN: 08832927     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.apgeochem.2013.06.013     Document Type: Article

References (42)

1. Ali M.A., Dzombak D.A. Competitive sorption of simple organic acids and sulfate on goethite. Environ. Sci. Technol. 1996, 30:1061-1071.
2. 4 adsorption on goethite in the presence of copper ions. Environ. Sci. Technol. 2008, 42:9191-9196.
3. Boily J.F. Elucidation of oxyanion coordination geometries at solid surfaces of varied electric field strengths. Phys. Chem. Chem. Phys. 2009, 11:8133-8135.
4. 3). J. Colloid Interface Sci. 1973, 43:437-448.
5. 2+) adsorption on oxide and hydroxide surfaces in salt solutions. Am. J. Sci. 1999, 299:828-899.
6. Davis J.A., Leckie J.O. Effect of adsorbed complexing ligands on trace metal uptake by hydrous oxides. Environ. Sci. Technol. 1978, 12:1309-1315.
7. Davis J.A., James R.O., Leckie J.O. Surface ionization and complexation at the oxide-water interface. II. Surface properties of amorphous iron oxyhydroxide and adsorption of metal ions. J. Colloid Interface Sci. 1978, 67:90-107.
8. Dzombak D.A., Morel F.M.M. Surface Complexation Modeling: Hydrous Ferric Oxide 1990, John Wiley and Sons.
9. Elzinga E.J., Peak D., Sparks D.L. Spectroscopic studies of Pb(II)-sulfate interactions at the goethite-water interface. Geochim. Cosmochim. Acta 2001, 65:2219-2230.
10. Fukushi K., Sverjensky D.A. A predictive model (ETLM) for arsenate adsorption and surface speciation on oxides consistent with spectroscopic and theoretical molecular evidence. Geochim. Cosmochim. Acta 2007, 71:3717-3745.
11. Fukushi K., Sverjensky D.A. A surface complexation model for sulfate and selenate on iron oxides consistent with spectroscopic and theoretical molecular evidence. Geochim. Cosmochim. Acta 2007, 71:1-24.
12. Geelhoed J.S., Hiemstra T., VanRiemsdijk W.H. Phosphate and sulfate adsorption on goethite: single anion and competitive adsorption. Geochim. Cosmochim. Acta 1997, 61:2389-2396.
13. Hayes K.F., Papelis C., Leckie J.O. Modeling ionic-strength effects on anion adsorption at hydrous oxide solution interfaces. J. Colloid Interface Sci. 1988, 125:717-726.
14. Hind A.R., Bhargava S.K., McKinnon A. At the solid/liquid interface: FTIR/ATR - the tool of choice. Adv. Colloid Interface 2001, 93:91-114.
15. 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.
16. Kanematsu M., Young T.M., Fukushi K., Green P.G., Darby J.L. Extended triple layer modeling of arsenate and phosphate adsorption on a goethite-based granular porous adsorbent. Environ. Sci. Technol. 2010, 44:3388-3394.
17. Kanematsu M., Young T.M., Fukushi K., Sverjensky D.A., Green P.G., Darby J.L. Quantification of the effects of organic and carbonate buffers on arsenate and phosphate adsorption on a goethite-based granular porous adsorbent. Environ. Sci. Technol. 2011, 45:561-568.
18. Kanematsu M., Young T.M., Fukushi K., Green P.G., Darby J.L. Arsenic(III, V) adsorption on a goethite-based adsorbent in the presence of major co-existing ions: modeling competitive adsorption consistent with spectroscopic and molecular evidence. Geochim. Cosmochim. Acta 2013, 106:404-428.
19. Lefevre G., Fedoroff M. Sorption of sulfate ions onto hematite studied by attenuated total reflection-infrared spectroscopy: kinetics and competition with other ions. Phys. Chem. Earth 2006, 31:499-504.
20. Manceau A. Critical evaluation of the revised akdalaite model for ferrihydrite. Am. Mineral. 2011, 96:521-533.
21. Michel F.M., Ehm L., Antao S.M., Lee P.L., Chupas P.J., Liu G., Strongin D.R., Schoonen M.A.A., Phillips B.L., Parise J.B. The structure of ferrihydrite, a nanocrystalline material. Science 2007, 316:1726-1729.
22. Muller K., Lefevre G. Vibrational characteristics of outer-sphere surface complexes: example of sulfate ions adsorbed onto metal (hydr)oxides. Langmuir 2011, 27:6830-6835.
23. Nagata T., Fukushi K. Prediction of iodate adsorption and surface speciation on oxides by surface complexation modeling. Geochim. Cosmochim. Acta 2010, 74:6000-6013.
24. Nagata T., Fukushi K., Takahashi Y. Prediction of iodide adsorption on oxides by surface complexation modeling with spectroscopic confirmation. J. Colloid Interface Sci. 2009, 332:309-316.
25. Ostergren J.D., Brown G.E., Parks G.A., Persson P. Inorganic ligand effects on Pb(II) sorption to goethite (alpha-FeOOH) - II. Sulfate. J. Colloid Interface Sci. 2000, 225:483-493.
26. Paul K.W., Borda M.J., Kubicki J.D., Sparks D.L. Effect of dehydration on sulfate coordination and speciation at the Fe-(hydr)oxide-water interface: a molecular orbital/density functional theory and Fourier transform infrared spectroscopic investigation. Langmuir 2005, 21:11071-11078.
27. 2O interface: comparison of cluster and periodic slab DFT predictions. Eur. J. Soil Sci. 2007, 58:978-988.
28. 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.
29. Rietra R.P.J.J., Hiemstra T., van Riemsdijk W.H. Sulfate adsorption on goethite. J. Colloid Interface Sci. 1999, 218:511-521.
30. Roonasi P., Holmgren A. An ATR-FTIR study of sulphate sorption on magnetite; rate of adsorption, surface speciation, and effect of calcium ions. J. Colloid Interface Sci. 2009, 333:27-32.
31. Sahai N., Sverjensky D.A. GEOSURF: a computer program for modeling adsorption on mineral surfaces from aqueous solution. Comput. Geosci. - UK 1998, 24:853-873.
32. Sigg L., Stumm W. The interaction of anions and weak acids with the hydrous goethite (α-FeOOH) surface. Coll. Surf. 1980, 2:101-117.
33. Sverjensky D.A. Standard states for the activities of mineral surface sites and species. Geochim. Cosmochim. Acta 2003, 67:17-28.
34. -) electrolytes. Geochim. Cosmochim. Acta 2005, 69:225-257.
35. Sverjensky D.A., Fukushi K. Anion adsorption on oxide surfaces: inclusion of the water dipole in modeling the electrostatics of ligand exchange. Environ. Sci. Technol. 2006, 40:263-271.
36. Sverjensky D.A., Fukushi K. A predictive model (ETLM) for As(III) adsorption and surface speciation on oxides consistent with spectroscopic data. Geochim. Cosmochim. Acta 2006, 70:3778-3802.
37. 4 on ferrihydrite and schwertmannite. Appl. Geochem. 2001, 16:503-511.
38. 4 on the ferrihydrite adsorption of Co, Pb and Cd: ternary complexes and site heterogeneity. Appl. Geochem. 2003, 18:1671-1689.
39. Swedlund P.J., Webster J.G., Miskelly G.M. Goethite adsorption of Cu(II), Pb(II), Cd(II), and Zn(II) in the presence of sulfate: properties of the ternary complex. Geochim. Cosmochim. Acta 2009, 73:1548-1562.
40. Wijnja H., Schulthess C.P. Effect of carbonate on the adsorption of selenate and sulfate on goethite. Soil Sci. Soc. Am. J. 2002, 66:1190-1197.
41. 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.
42. Zhang G.Y., Peak D. Studies of Cd(II)-sulfate interactions at the goethite-water interface by ATR-FTIR spectroscopy. Geochim. Cosmochim. Acta 2007, 71:2158-2169.