Surface complexation of arsenic(V) to iron(III) (hydr)oxides: Structural mechanism from ab initio molecular geometries and EXAFS spectroscopy

Geochimica et Cosmochimica Acta

Volumn 67, Issue 22, 2003, Pages 4223-4230

  Sherman, David M ^a   Randall, Simon R ^a  

^a UNIVERSITY OF BRISTOL   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; ARSENATE; CLAY MINERAL; COMPLEXATION; IRON HYDROXIDE; SPECTROSCOPY;

EID: 0242624799     PISSN: 00167037     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0016-7037(03)00237-0     Document Type: Article

References (34)

1. Aggett J.Roberts L.S.Insight into the mechanism of accumulation of arsenate and phosphate in hydro lake sediments by measuring the rate of dissolution with ethylenediamine-tetraacetic acid Environ. Sci. Technol. 20 1986 183-186
2. Belzile N.Tessier A.Interactions between arsenic and iron oxyhydroxides in lacustrine sediments Geochim. Cosmochim. Acta 54 1990 103-109
3. Binsted N (1998) EXCURV98: CCLRC Daresbury Laboratory computer program. Daresbury Laboratory, Warrington, U.K
4. Boily J.-F.Lutzenkirchen J.Balmes O.Beattie J.Sjoberg S.Modeling proton binding at the goethite (α-FeOOH)-water interface Colloids and Surfaces A 179 2001 11-27
5. Carlson L.Bigham J.M.Schwertmann U.Kyek A.Wagner F.Scavenging of as from acid mine drainage by schwertmannite and ferrihydrite: A comparison with synthetic analogues Env. Sci. Technol. 36 2002 1712-1719
6. Dent A.J.Mosselmans J.F.W. A Guide to EXBACK, EXCALIB, and EXCURV92 1992 Daresbury Laboratory, WarringtonU. K
7. Farquhar M.L.Charnock J.M.Livens F.R.Vaughan D.J.Mechanisms of arsenic uptake from aqueous solution by interaction with goethite, lepidocrocite, mackinawite, and pyrite: An X-ray absorption spectroscopy study Env. Sci. Tech. 36 2002 1757-1762
8. Fendorf S.Eick M.J.Grossl P.Sparks D.L.Arsenate and chromate retention mechanisms on goethite. 1. Surface structure Envrion. Sci. Technol. 31 1997 315-320
9. Foster A.L.Brown G.E.Tingle T.N.Parks G.A.Quantitative speciation of arsenic in mine tailings using X-ray absorption spectroscopy American Mineralogist 89 1998 553-568
10. Grossl P.R.Sparks D.L.Evaluation for contaminant ion adsorption-desorption on goethite using pressure-jump relaxation kinetics Geoderma 67 1995 87-101
11. Grossl P.R.Eick M.Sparks D.L.Goldberg S.Ainsworth C.C.Arsenate and chromate retention mechanisms on goethite. 2. Kinetic evaluation using a pressure-jump relaxation technique Envrion. Sci. Technol. 31 1997 321-326
12. Gurman S.J.Binsted N.Ross I.Multiple scattering rapid curved wave theory J. Phys. C: Solid State Phys 19 1986 1845-1861
13. Hedin L.Lundqvist S.Effects of electron-electron and electron-phonon interactions on the one-electron states of solids Solid State Phys 23 1969 1-181
14. Hsia T.H.Lo S.L.Lin C.F.Lee D.Y.Characterization of arsenate adsorption on hydrous iron oxide using chemical and physical methods Colloids Surfaces A - Physicochem. Eng. Aspects 85 1994 1-7
15. Jain A.Ravan K.P.Loeppert R.H.Arsenite and arsenate adsorption on ferrihydrite: Surface charge reduction and net OH- release stoichiometry Env. Sci. Technol. 33 1999 1179-1184
16. Kitahama K.Kiriyama R.Baba Y.Refinement of the crystal structure of scorodite Acta Crysta B31 1975 322-324
17. Kurchhof A., Pebler A., and Warkensten, eds. (1991) Inorganic crystal structure database (ICSD). Gmelin-Institute fur Anorganische Chemie
18. Ladeira A.C.Q.Ciminelli V.S.T.Duarte H.A.Alves M.C.M.Ramos A.Y.Mechanism of anion retention from EXAFS and density functional calculations: Arsenic (V) adsorbed on gibbsite Geochim. Cosmochim. Acta 65 2001 1211-1217
19. Livesey N.T.Huang P.M.Adsorption of arsenate by soils and its relation to selected chemical-properties and anions Soil Sci 131 1981 88-94
20. Manceau A.The mechanism of anion adsorption on iron oxides: Evidence for the bonding of arsenate tetrahedra on free Fe(O,OH)6 edges Geochim. Cosmochim. Acta 59 1995 3647-3653
21. Pandya K.I.Multiple-scattering effects in x-ray absorption fine structure: Chromium in tetrahedral configuration Phys. Rev. B 50 1994 15509-15515
22. Perdew J.P.Chevary J.A.Vosko S.H.Jackson K.A.Pederson M.R.Singh D.J.Fiolhais C.Atoms, molecules, solids, and surfaces - applications of the generalized gradient approximation for exchange and correlation Phys. Rev. B46 1992 6671-6687
23. Pichler T.Veizer J.Hall G.E.M.Natural input of arsenic into a coral reef ecosystem by hydrothermal fluids and its removal by Fe(III) oxyhydroxides Environmental Science and Technology 33 1999 1373-1378
24. Randall S.R.Sherman D.M.Ragnarsdottir K.V.Collins C.R.The mechanism of cadmium surface complexation on iron oxyhydroxide minerals Geochim. Cosmochim. Acta 63 1999 2971-2987
25. Schwertmann U. and Cornell R. M. (1991) Iron oxides in the Laboratory: Preparation and Characterization. VCH Publishers. Weinheim
26. 3+ coordination sites in iron oxides: Applications to spectra, bonding and magnetism Phys. Chem. Mineral. 12 1985 161-175
27. Sullivan K.A.Aller R.C.Diagenetic cycling of arsenic in Amazon shelf sediments Geochim. Cosmochim. Acta 60 1996 1465-1477
28. Sun X.H.Doner H.E.An investigation of arsenate and arsenite bonding structures on goethite by FTIR Soil Science 161 1996 865-872
29. te Velde G.Bickelhaupt F.M.Baerends E.J.Fonseca Guerra C.van Gisbergen S.J.A.Snijders J.G.Ziegler T.Chemistry with ADF Journal of Computational Chemistry 22 2001 931-967
30. Vosko S.H.Wilk K.Nusair M.Accurate spin-dependent electron liquid correlation energy for local spin density calculations: A critical analysis Can. J. Phys. 58 1980 1200-1205
31. Waychunas G.A.Rea B.A.Fuller C.C.Davis J.A.Surface chemistry of ferrihydrite. 1. EXAFS studies of the geometry of coprecipitated and adsorbed arsenate Geochim. Cosmochim. Acta 57 1993 2251-2269
32. Waychunas G.A.Davis J.A.Fuller C.C.Geometry of sorbed arsenate on ferrihydrite and crystalline FeOOH: Re-evaluation of EXAFS results and topological factors in predicting sorbate geometry, and evidence for monodentate complexes Geochim. Cosmochim. Acta 59 1995 3655-3661
33. Waychunas G.A.Fuller C.C.Rea B.A.Davis J.A.Wide angle X-ray scattering (WAXS) of "two-line" ferrihydrite structure: Effect of arsenate sorption and counterion variation and comparison with EXAFS results Geochim. Cosmochim. Acta 60 1996 1765-1781
34. Wilkie J.A.Hering J.G.Adsorption of arsenic onto hydrous ferric oxide - effects of adsorbate/adsorbent ratios and co-occurring solute Colloids and Surfaces A - Physicochem. Eng. Aspects 107 1996 97-110