Kinetic fractionation of carbon and oxygen isotopes during hydration of carbon dioxide

Geochimica et Cosmochimica Acta

Volumn 139, Issue , 2014, Pages 540-552

  Zeebe, Richard E ^a  

^a UNIVERSITY OF HAWAII   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AQUEOUS SOLUTION; BICARBONATE; CARBON DIOXIDE; CARBON ISOTOPE RATIO; HYDRATION; ISOTOPIC FRACTIONATION; OXYGEN ISOTOPE RATIO; REACTION KINETICS; REACTION RATE; STABLE ISOTOPE;

EID: 84904809323     PISSN: 00167037     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.gca.2014.05.005     Document Type: Article

References (39)

1. Adkins J.F., Boyle E.A., Curry W.B., Lutringer A. Stable isotopes in deep-sea corals and a new mechanism for 'vital effects'. Geochim. Cosmochim. Acta 2003, 67:1129-1143.
2. Beck W.C., Grossmann E.L., Morse J.W. Experimental studies of oxygen isotope fractionation in the carbonic acid system at 15°, 25°, and 40°C. Geochim. Cosmochim. Acta 2005, 69(14):3493-3503.
3. Bigeleisen J., Mayer M.G. Calculation of equilibrium constants for isotopic exchange reactions. J. Chem. Phys. 1947, 15:261-267.
4. Bigeleisen J., Wolfsberg M. Theoretical and experimental aspects of isotope effects in chemical kinetics. Adv. Chem. Phys. 1958, 1:15-76.
5. Clark I.D., Lauriol B. Kinetic enrichment of stable isotopes in cryogenic calcites. Chem. Geol. 1992, 102(1-4):217-228.
6. 2 in wäßriger Lösung. Z. Phys. Chem. NF 1961, 30:30-136.
7. Eigen M., Kruse W., Maass G., De Maeyer L. Rate constants of protolytic reactions in aqueous solution. Progress in Reaction Kinetics II 1964, 287-318. Pergamon, Oxford. G. Porter (Ed.).
8. Eyring H. The activated complex and the absolute rate of chemical reactions. Chem. Rev. 1935, 17(1):65-77.
9. 4 from ab initio calculations. Geochim. Cosmochim. Acta 2003, 67(7):1259-1276.
10. Gao Y.Q., Marcus R.A. Strange and unconventional isotope effects in ozone formation. Science 2001, 293:259-263.
11. Gordon M.S., Schmidt M.W. Advances in electronic structure theory: GAMESS a decade later. Theory and Applications of Computational Chemistry: The First Forty Years 2005, 1167-1189. Elsevier, Amsterdam. G. Frenking, K.S. Kim, G.E. Scuseria (Eds.).
12. Guo W. (2008) Carbonate clumped isotope thermometry: application to carbonaceous chondrites and effects of kinetic isotope fractionation. Ph. D. thesis, California Institute of Technology.
13. Hill P.S., Tripati A.K., Schauble E.A. Theoretical constraints on the effects of pH, salinity, and temperature on clumped isotope signatures of dissolved inorganic carbon species and precipitating carbonate minerals. Geochim. Cosmochim. Acta 2014, 125:610-652.
14. 8 Lennard-Jones potential. J. Chem. Phys. 1995, 102:6,706-6,718.
15. Kern D.M. The hydration of carbon dioxide. J. Chem. Educ. 1960, 37:14-23.
16. Kubicki J.D. Transition state theory and molecular orbital calculations applied to rates and reaction mechanisms in geochemical kinetics. Kinetics of Water-Rock Interaction 2008, 39-72. Springer. S.L. Brantley, J.D. Kubicki, A.F. White (Eds.).
17. Majoube M. Fractionnement en oxygèn 18 et en deutérium entre l'eau et sa vapeur. J. Chim. Phys. 1971, 68:1423-1436.
18. Marlier J.F., O'Leary M.H. Carbon kinetic isotope effects on the hydration of carbon dioxide and the dehydration of bicarbonate ion. J. Am. Chem. Soc. 1984, 106(18):5054-5057.
19. 18O isotopic disequilibrium in biological carbonates: II. In vitro simulation of kinetic isotope effects. Geochim. Cosmochim. Acta 1989, 53:163-171.
20. Melander L., Saunders W.H. Reaction Rates of Isotopic Molecules 1980, Wiley & Sons, New York, p. 331.
21. Mickler P.J., Banner J.L., Stern L., Asmerom Y., Edwards R.L., Ito E. Stable isotope variations in modern tropical speleothems: evaluating equilibrium vs. kinetic isotope effects. Geochim. Cosmochim. Acta 2004, 68:4381-4393.
22. 2O versus microsolvation. J. Phys. Chem. A 2008, 112(41):10386-10398.
23. Nguyen M.T., Raspoet G., Vanquickenborne L.G., Van Duijnen P.T. How many water molecules are actively involved in the neutral hydration of carbon dioxide? J. Phys. Chem. A 1997, 101(40):7379-7388.
24. O'Leary M.H., Madhaven S., Paneth P. Physical and chemical basis of carbon isotope fractionation in plants. Plant Cell Environ. 1992, 15:1099-1104.
25. 2O at 25 °C. J. Res. US Geol. Surv. 1975, 3:623-624.
26. 2-water system. Appl. Spectrosc. 2006, 60(2):130-144.
27. 2(g), aqueous carbonate species, and carbonate minerals. J. Phys. Chem. A 2008, 112:542-555.
28. 3 forms via HCO3- in water. J. Phys. Chem. B 2010, 114(50):16,854-16,859.
29. Truhlar D.G., Garrett B.C. Variational transition state theory. Ann. Rev. Phys. Chem. 1984, 35:159-189.
30. 18O vital effects in biogenic carbonates. Geochim. Cosmochim. Acta 2012, 95:15-34.
31. Uchikawa J. and Zeebe R. E. (2013). No discernible effect of Mg2+ ions on the equilibrium oxygen isotope fractionation in the CO2-H2O system. Chem. Geol., in revision.
32. Urey H.C. The thermodynamic properties of isotopic substances. J. Chem. Soc. 1947, 562-581.
33. 2 in water solution: insight from the cluster-continuum model calculations. J. Comput. Chem. 2013, 34(5):372-378.
34. Wang X., Conway W., Burns R., McCann N., Maeder M. Comprehensive study of the hydration and dehydration reactions of carbon dioxide in aqueous solution. J. Phys. Chem. A 2010, 114:1734-1740.
35. Wolfsberg M., Van Hook W.A., Paneth P. Isotope Effects in the Chemical, Geological, and Bio Sciences 2010, Springer, Heidelberg, p. 466.
36. Zeebe R.E. Hydration in solution is critical for stable oxygen isotope fractionation between carbonate ion and water. Geochim. Cosmochim. Acta 2009, 73:5283-5291.
37. Zeebe R.E. A new value for the stable oxygen isotope fractionation between dissolved sulfate ion and water. Geochim. Cosmochim. Acta 2010, 74:818-828.
38. 2 in Seawater: Equilibrium, Kinetics, Isotopes 2001, Elsevier Oceanography Series, Amsterdam, p. 346.
39. 2. Geochim. Cosmochim. Acta 1995, 59:107-114.