Reaction of hydroquinone with hematite: II. Calculated electron-transfer rates and comparison to the reductive dissolution rate

Journal of Colloid and Interface Science

Volumn 274, Issue 2, 2004, Pages 442-450

  Stack, Andrew G ^a,d   Rosso, Kevin M ^b   Smith, Dayle M A ^c   Eggleston, Carrick M ^a  

^a UNIVERSITY OF WYOMING   (United States)

^b PACIFIC NORTHWEST NATIONAL LABORATORY   (United States)

^c WHITMAN COLLEGE   (United States)

^d UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

Fe2O3; Biological electron transfer; Hematite; Hydroquinone; Marcus theory

Indexed keywords

COMPUTATION THEORY; DISSOLUTION; ELECTRON TRANSITIONS; MATHEMATICAL MODELS; RATE CONSTANTS; REDUCTION;

ELECTRON TRANSFER RATE; HEMATITE; IRON REDUCING BACTERIA; REDUCTIVE DISSOLUTION RATE;

IRON ORES;

FERRIC OXIDE; HYDROQUINONE;

ADSORPTION; ARTICLE; CROSS REACTION; DISSOLUTION; ELECTRON TRANSPORT; ENERGY; HYPOTHESIS; MATHEMATICAL COMPUTING; PRIORITY JOURNAL; REDUCTION; SURFACE CHARGE; THEORY;

EID: 2342550088     PISSN: 00219797     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jcis.2004.01.001     Document Type: Article

References (56)

1. Rogers J.R., Bennett P.C., Choi W.J. Proceedings of the Tenth International Symposium on Water-Rock Interaction WRI-10, Villasimus, Italy, 10-15 July. 2001
2. Newman D.K., Colter R. Nature. 405:2000;94
3. Hernandez M.E., Newman D.K. Cell Mol. Life Sci. 58:2001;1562
4. Zachara J.M., Fredrickson J.K., Li S.-M., Kennedy D.W., Smith S.C., Gassman P.L. Am. Mineral. 83:1998;1426
5. LaKind J.S., Stone A.T. Geochim. Cosmochim. Acta. 53:1989;961
6. A.G. Stack, C.M. Eggleston, M. Engelhard, J. Colloid Interface Sci. (in press)
7. Kung K.-H., McBride M.B. Clays Clay Miner. 36:1988;303
8. Vetter K.J. Electrochemical Kinetics, Theoretical and Experimental Aspects. 1967;Academic Press, New York
9. Hale J.M., Parsons R. Trans. Faraday Soc. 59:1962;1429
10. McBride M.B. Soil Sci. Soc. Am. J. 51:1987;1466
11. Abdul Rahman M.B.B., Bolton P.R., Evans J., Dent A.J., Harvey I., Diaz-Moreno S. Faraday Discuss. 122:2002;211
12. K.M. Rosso, D.A.M. Smith, Z. Wang, C.C. Ainsworth, J.K. Fredrickson, submitted for publication
13. Rosso K.M., Rustad J.R. J. Phys. Chem. A. 104:2000;6718
14. Rosso K.M., Smith D.A.M., Dupuis M. J. Chem. Phys. 118:2003;6455
15. Stookey L.L. Anal. Chem. 42:1970;779
16. Frisch M.J., Trucks G.W., Schlegel H.B., Scuseria J.A., Robb M.A., Cheeseman J.R., Zakrzewski V.G., Montgomery J.A., Stratmann R.E., Burant J.C., Dapprich S., Millam J.M., Daniels A.D., Kudin K.N., Strain M.C., Farkas O., Tomasi J., Barone V., Cossi M., Cammi R., Mennucci B., Pomelli C., Adamo C., Clifford S., Ochterski J., Petersson G.A., Ayala P.Y., Cui Q., Morokuma K., Malick D.K., Rabuck A.D., Raghavachari K., Foresman J.B., Cioslowski J., Ortiz J.V., Stefanov B.B., Liu G., Liashenko A., Piskorz P., Komaromi I., Gomperts R., Martin R.L., Fox D.J., Keith T., Al-Laham M.A., Peng C.Y., Nanayakkara A., Gonzalez C., Challacombe M., Gill P.M.W., Johnson B., Chen W., Wong M.W., Andres J.L., Gonzalez C., Head-Gordon M., Replogle E.S., Pople J.A. Gaussian98 (Revision A.4). 1998;Gaussian Inc. Pittsburgh
17. Becke A.D. J. Chem. Phys. 98:1993;1372
18. Lee C.T., Yang W.T., Parr R.G. Phys. Rev. B. 37:1988;785
19. Wachters A.J.H. J. Chem. Phys. 52:1970;1033
20. Hay P.J. J. Chem. Phys. 66:1977;4377
21. Foresman J.B. Exploring Chemistry with Electronic Structure Methods. 1996;Gaussian Inc. Pittsburgh
22. Harrison R.J., Nichols J.A., Straatsma T.P., Dupuis M., Bylaska E.J., Fann G.I., Windus T.L., Apra E., de Jong W., Hirata S., Hackler M.T., Anchell J., Bernholdt D., Borowski P., Clark T., Clerc D., Dachsel H., Deegan M., Dyall K., Elwood D., Fruchtl H., Glendening E., Gutowski M., Hirao K., Hess A., Jaffe J., Johnson B., Ju J., Kendall R., Kobayashi R., Kutteh R., Lin Z., Littlefield R., Long X., Meng B., Nakajima T., Nieplocha J., Niu S., Rosing M., Sandrone G., Stave S., Taylor H., Thomas G., van Lenthe J., Wolinski K., Wong A., Zhang Z. NWCHEM: A Computational Chemistry Package Designed to Run on High-Performance Parallel Supercomputers. 2002;Pacific Northwest National Laboratory
23. Faradzel A., Dupuis M., Clementi E., Aviramt A. J. Am. Chem. Soc. 112:1980;4206
24. Samson S.D., Eggleston C.M. Geochim. Cosmochim. Acta. 64:2000;3675
25. Burgos W.D., Fang Y., Royer R.A., Yeh G.-T., Stone J.J., Jeon B.-H., Dempsey B.A. Geochim. Cosmochim. Acta. 67:2003;2735
26. Klimkans A., Larsson S. Chem. Phys. 189:1994;25
27. Rowland R.S., Taylor R. J. Phys. Chem. 100:1996;7384
28. Bondi A. J. Chem. Phys. 68:1964;441
29. Grätzel M. Heterogeneous Photochemical Electron Transfer. 1989;CRC Press, Boca Raton, FL
30. Miesel D., Fessenden R.W. J. Am. Chem. Soc. 98:1976;7505
31. Wang Y.-N., Zhang X.-D., Liu Y., Qi-Yuan Z. Acta Chim. Sin. 57:1999;1114
32. Baxendale J.H., Hardy H.R., Sutcliffe L.H. Trans. Faraday Soc. 47:1951;963
33. Eggleston C.M., Stack A.G., Rosso K.M., Higgins S.R., Bice A.M., Boese S.W., Pribyl R.D., Nichols J.J. Geochim. Cosmochim. Acta. 67:2003;985
34. Becker U., Hochella M.F.J., Aprà E. Am. Mineral. 81:1996;1301
35. Quinn R.K., Nasby R.D., Baughman R.J. Mater. Res. Bull. 11:1976;1011
36. Nozik A.J. Ann. Rev. Phys. Chem. 29:1978;189
37. McBride M.B., Wesselink L.G. Environ. Sci. Technol. 22:1988;703
38. Kim Y.-G., Soriaga M.P. J. Colloid Interface Sci. 236:2001;197
39. Sahai N., Sverjensky D.A. Geochim. Cosmochim. Acta. 60:1997;3773
40. Yates D.E., Greiser F., Cooper R., Healy T.W. Aust. J. Chem. 30:1977;1655
41. Stone A.T., Ulrich H.-J. J. Colloid Interface Sci. 132:1989;509
42. Wallwork S.C., Powell H.M. J. Chem. Soc. Perkin II. 4:1980;641
43. Trotter J. Acta Crystallogr. 13:1980;86
44. Marcus R.A. J. Chem. Phys. 24:1956;979
45. Marcus R.A. J. Phys. Chem. 94:1990;1050
46. Marcus R.A., Sutin N. Biochim. Biophys. Acta. 811:1985;265
47. Marcus R.A. J. Chem. Phys. 43:1965;679
48. Jortner J. J. Am. Chem. Soc. 102:1980;6676
49. Weaver M.J., Yee E.L. Inorg. Chem. 19:1980;1936
50. Garrels R.M., Christ C.L. Solutions, Minerals, and Equilibria. 1965;Harper & Row, New York
51. Sherman D.M. Phys. Chem. Miner. 14:1987;355
52. German E.D., Kuznetsov A.M. J. Phys. Chem. A. 26:1981;1595
53. Nelsen S.F., Blackstock S.C., Kim Y. J. Am. Chem. Soc. 109:1987;677
54. Rathore R., Hubig S.M., Kochi J.K. J. Phys. Chem. 119:1997;11468
55. Logan J., Newton M.D. J. Chem. Phys. 78:1983;4086
56. Suzuki K., Seki S. Bull. Chem. Soc. Jpn. 26:1953;372