ATR-FTIR spectroscopic characterization of coexisting carbonate surface complexes on hematite

Geochimica et Cosmochimica Acta

Volumn 69, Issue 6, 2005, Pages 1527-1542

  Bargar, John R ^a   Kubicki, James D ^b   Reitmeyer, Rebecca ^c   Davis, James A ^d  

^a SLAC NATIONAL ACCELERATOR LABORATORY   (United States)

^b PENNSYLVANIA STATE UNIVERSITY   (United States)

^c SLAC NATIONAL ACCELERATOR LABORATORY   (United States)

^d U S GEOLOGICAL SURVEY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AQUEOUS SOLUTION; CARBONATE; HEMATITE;

EID: 15844373330     PISSN: 00167037     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.gca.2004.08.002     Document Type: Article

References (47)

1. C.A.J. Appelo M.J.J. Van Der Weiden C. Tournassat and L. Charlet Surface complexation of ferrous iron and carbonate on ferrihydrite and the mobilization of arsenic Environ. Sci. Technol. 36 2002 3096-3103
2. Y. Arai D.L. Sparks and J.A. Davis Effects of dissolved carbonate on arsenate adsorption and surface speciation at the hematite-water interface Environ. Sci. Technol. 38 2004 817-824
3. K. Axe and P. Persson Time-dependent surface speciation of oxalate at the water-boehmite (g-AlOOH) interface: Implications for dissolution Geochim. Cosmochim. Acta 65 2001 4481-4492
4. J.R. Bargar G.E. Brown Jr. and G.A. Parks Surface complexation of Pb(II) at oxide-water interfaces. II. XAFS and bond-valence determination of mononuclear Pb(II) sorption products and surface functional groups on Fe-oxides Geochim. Cosmochim. Acta 61 1997 2639-2652
5. J.R. Bargar P. Persson and G.E. Brown Jr. Outer-sphere adsorption of Pb(II)EDTA on goethite Geochim. Cosmochim. Acta 63 1999 2957-2969
6. J.R. Bargar R. Reitmeyer and J.A. Davis Spectroscopic confirmation of uranium(VI)-carbonato adsorption complexes on hematite Environ. Sci. Technol. 33 1999 2481-2484
7. J.R. Bargar R. Reitmeyer J.J. Lenhart and J.A. Davis Characterization of U(VI)-carbonato ternary complexes on hematite. EXAFS and mobility measurements Geochim. Cosmochim. Acta 64 2000 2737-2749
8. A.D. Becke A new mixing of Hartree-Fock and local density-functional theories J. Chem. Phys. 92 1993 1372-1377
9. J.O.M. Bockris and A.K.N. Reddy Modern Electrochemistry Vol. 2 1970 Plenum/Rosetta
10. L. Cheng R. Fenter K.L. Nagy M.L. Schlegel N.C. Sturchio Molecular-scale density oscillations in water adjacent to a mica surface Phys. Rev. Lett. 87 2001 156103(1-4)
11. J.A. Davis Surface complexation modeling of uranium(VI) Adsorption on natural mineral assemblages. U.S. Nuclear Regulatory Commission Report NUREG/CR-6708 2001 U.S. Nuclear Regulatory Commission
12. 2O system J. Solution Chem. 1 1972 329-339
13. 2 dependence of uranium(VI) adsorption by a weathered schist with surface complexation models In Geochemistry of Soil Radionuclides 2002 Soil Science Society America 61-86
14. P.A. Fenter X-ray reflectivity as a probe of mineral-fluid interfaces: A user guide eds. P.A. Fenter M.L. Rivers N.C. Sturchio and S.R. Sutton In Applications of Synchrotron Radiation in Low-Temperature Geochemistry and Environmental Science Vol. 49 2002 Mineralogical Society of America 149-220
15. P. Fenter M.T. McBride G. Srajer N.C. Sturchio and D. Bosbach Structure of barite (001) and (210)-water interfaces J. Phys. Chem. B. B 2001 8112-8119
16. M.J. Frisch G.W. Trucks H.B. Schlegel G.E. Scuseria M.A. Robb J.R. Cheeseman V.G. Zakrzewski J.A. Montgomery R.E. Stratmann J.C. Burant S. Dapprich J.M. Millam A.D. Daniels K.N. Kudin M.C. Strain O. Farkas J. Tomasi V. Barone M. Cossi R. Cammi B. Mennucci C. Pomelli C. Adamo S. Clifford J. Ochterski G.A. Petersson P.Y. Ayala Q. Cui K. Morokuma D.K. Malick A.D. Rabuck K. Raghavachari J.B. Foresman J. Cioslowski J.V. Ortiz B.B. Stefanov G. Liu A. Liashenko P. Piskorz I. Komaromi R. Gomperts R.L. Martin D.J. Fox T.A. Keith M.A. Al-Laham C.Y. Peng A. Nanayakkara C. Gonzalez M. Challacombe P.M.W. Gill B.G. Johnson W. Chen M.W. Wong J.L. Andres M. Head-Gordon E.S. Replogle and J.A. Pople Gaussian 98 (revision A7) 1998 Gaussian, Inc
17. -1 Spectrochim. Acta 24A 1968 993-998
18. J.D. Hem Study and Interpretation of the Chemical Characterisitcs of Natural Water 1989 U.S. Geological Survey
19. C.H. Ho N.H. Miller Adsorption of uranly species from bicarbonate solution onto hematite particles J. Colloid Interf. Sci. 110 1986 165-171
20. 2 Radiochim. Acta 85 1999 33-48
21. J.D. Kubicki M.J. Itoh L.M. Schroeter and S.E. Apitz The bonding mechanisms of salicylic acid adsorbed onto illite clay: An ATR-FTIR and MO study Environ. Sci. Technol. 31 1997 1151-1156
22. J.D. Kubicki M.J. Itoh L.M. Schroeter B.N. Nguyen and S.E. Apitz Attenuated total reflectance Fourier-transform infrared spectroscopy of carboxylic acids adsorbed onto mineral surfaces Geochim. Cosmochim Acta 63 1999 2709-2725
23. C.T. Lee W.T. Yang and R.G. Parr Development of the Colle-Salvetti correlation-energy formula into a functional of the electron-density Phys. Rev. B. 37 1988 785-789
24. J.J. Lenhart and B.D. Honeyman U(VI) sorption to hematite in the presence of humic acid Geochim. Cosmochim. Acta 63 1999 2891-2901
25. D.G. Lumsdon and L.J. Evans Surface complexation model parameters for goethite (α-FeOOH) J. Coll. Interf. Sci. 164 1994 119-125
26. E. Matijevic and P. Scheiner Ferrous hydrous oxide sols III. Preparation of uniform particles by hydrolysis of Fe(III)-chloride, -nitrate and -perchlorate solutions J. Coll. Inter. Sci. 63 1978 509-524
27. K. Nakamoto Infrared and Raman Spectra of Inorganic and Coordination Compounds 1986 Wiley
28. B.G. Oliver A.R. Davis Vibrational spectroscopic studies of aqueous alkali metal bicarbonate and carbonate solutions Can. J. Chem 51 1973 698-702
29. J.D. Ostergren T.P. Trainor J.R. Bargar G.E. Brown Jr. and G.A. Parks Inorganic ligand effects on Pb(II) sorption to goethite (α-FeOOH) I. Carbonate J Coll. Interf. Sci. 225 2000 466-482
30. D.A. Palmer and R.V. Eldik The chemisty of metal carbonato and carbon dioxide complexes Chem. Rev. 83 1983 651-731
31. D. Peak G.W.I. Luther and D.L. Sparks ATR-FTIR spectroscopic studies of boric acid adsorption on hydrous ferric oxide Geochim. Cosmochim. Acta 67 2003 2551-2560
32. R. Reitmeyer J.A. Davis and J.R. Bargar A spectroscopic approach to surface complexation modeling of uranyl carbonates on Fe-oxide surfaces In Book of abstracts, 217th ACS National Meeting, Anaheim, CA, March 21-25 1999 American Chemical Society 294-296
33. S.D. Ross Inorganic Infrared and Raman Spectra 1972 McGraw-Hill
34. A. Savitzky and M.J.E. Golay Smoothing and differentiation of data by simplified least squares procedures Anal. Chem 36 1964 1627-1639
35. A.P. Scott and L. Radom Harmonic vibrational frequencies: An evaluation of Hartree-Fock, Møller-Plesset, quadratic configuration interaction, density functional theory and semiempirical scaling factors J. Phys. Chem 100 1996 16502-16513
36. C. Su and D.L. Suarez In situ infrared speciation of adsorbed carbonate on aluminum and iron oxides Clays Clay Miner 45 1997 814-825
37. L.D. Tickanen M.I. Tejedor-Tejedor and M.A. Anderson Quantitative characterization of aqueous suspensions using variable-angle ATR-FTIR spectroscopy: Determination of optical constants and absorption coefficient spectra Langmuir 13 1997 4829-4836
38. M.F. Toney J.N. Howard J. Richer G.L. Borges J.G. Gordon O.R. Melroy D.G. Wiesler D. Yee and L.B. Sorenson Voltage-dependent ordering of water molecules at an electrode-electrolyte interface Nature 368 1994 444-446
39. A. Van Geen A.P. Robertson and J.O. Leckie Complexation of carbonate species at the goethite surface: Implications for adsorption of metal ions in natural waters Geochim. Cosmochim. Acta 58 1994 2073-2086
40. M. Villalobos and J.O. Leckie Surface complexation modeling and FTIR study of carbonate adsorption on goethite J. Colloid Interf. Sci. 235 2001 15-32
41. M. Villalobos M.A. Trotz and J.O. Leckie Surface complexation modeling of carbonate effects on the adsorption of Cr(VI), Pb(II) and U(VI) on goethite Environ. Sci. Technol. 35 2001 3849-3856
42. T.D. Waite J.A. Davis T.E. Payne G.A. Waychunas and N. Xu Uranium(VI) adsorption to ferrihydrite: Application of a surface complexation model Geochim. Cosmochim. Acta 58 1994 5465-5478
43. M. Wazne G.P. Korfiatis and X. Meng Carbonate adsorption effects on hexavalent uranium adsorption by iron oxyhydroxide Environ. Sci. Technol. 37 2003 3619-3624
44. H. Wijnja and C.P. Schulthess Carbonate adsorption mechanism on goethite studied with ATR-FTIR, DRIFT and proton coadsorption measurements Soil Sci. Soc. Am. J. 65 2001 324-330
45. H. Wijnja and C.P. Schulthess Effect of carbonate on the adsorption of selenate and sulfate on goethite Soil Sci. Soc. Am. J. 66 2002 1190-1197
46. J.M. Zachara D.C. Girvin R.L. Schmidt and C.T. Resch Chromate adsorption on amorphous iron oxyhydroxide in the presence of major groundwater ions Environ. Sci. Technol. 21 1987 589-594
47. 2 adsorption Langmuir 4 1988 469-474