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Simulation of Uranium Transport with Variable Temperature and Oxidation Potential: The Computer Program Thcc

Published online by Cambridge University Press:  28 February 2011

C. L. Carnahan
C. L. Carnahan*
Affiliation:
Earth Sciences Division, MS 50E, Lawrence Berkeley Laboratory, 1 Cyclotron Road, Berkeley, CA 94720
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Abstract

A simulator of reactive chemical transport has been constructed with the capabilities of treating variable temperatures and variable oxidation potentials within a single simulation. Homogeneous and heterogeneous chemical reactions are simulated at temperature-dependent equilibrium, and changes of oxidation states of multivalent elements can be simulated during transport. Chemical mass action relations for formation of complexes in the fluid phase are included explicitly within the partial differential equations of transport, and a special algorithm greatly simplifies treatment of reversible precipitation of solid phases. This approach allows direct solution of the complete set of governing equations for concentrations of all aqueous species and solids affected simultaneously by chemical and physical processes. Results of example simulations of transport, along a temperature gradient, of uranium solution species under conditions of varying pH and oxidation potential and with reversible precipitation of uraninite and coffinite are presented. The examples illustrate how inclusion of variable temperature and oxidation potential in numerical simulators can enhance understanding of the chemical mechanisms affecting migration of multivalent waste elements.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 84: Symposium L – Scientific Basis for Nuclear Waste Management X , 1986 , 713
Copyright
Copyright © Materials Research Society 1987

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References

1. Grove, D.A. and Wood, W.W., Ground Water 17, 250 (1979).Google Scholar
2. Theis, T.L., Kirkner, D.J., and Jennings, A.A., University of Notre Dame Civil Engineering Department Report No. COO-10253-3, 1983.Google Scholar
3. Cederberg, G.A., Street, R.L., and Leckie, J.O., Water Resour. Res. 21, 1095 (1985).Google Scholar
4. Rubin, J. and James, R.V., Water Resour. Res. 9, 1332 (1973).Google Scholar
5. Valocchi, E.J., Street, R.L., and Roberts, P.V., Water Resour. Res. 17, 1517 (1981).Google Scholar
6. Miller, C.W., in Scientific Basis for Nuclear Waste Management VI, edited by Brookins, D.G. (Elsevier Science Publishers, New York, 1983) pp. 481–488.Google Scholar
7. Miller, C.W. and Benson, L.V., Water Resour. Res. 19, 381 (1983).CrossRefGoogle Scholar
8. Kirkner, D.J., Jennings, A.A., and Theis, T.L., J. Hydrology 76, 107 (1985).CrossRefGoogle Scholar
9. Stumm, W. and Morgan, J.J., Aquatic Chemistry, 1st ed. (Wiley-Interscience, New York, 1970) p. 83.Google Scholar
10. Remson, I., Hornberger, G.M., and Molz, F.J., Numerical Methods in Subsurface Hydrology (Wiley-Interscience, New York, 1971) pp. 81–86.Google Scholar
11. Carnahan, B., Luther, H.A., and Wilkes, J.O., Applied Numerical Methods (John Wiley & Sons, New York, 1969) p. 319.Google Scholar
12. Hindmarsh, A.C., Lawrence Livermore National Laboratory Report No. UCID-30150, 1977.Google Scholar
13. Clarke, E.C.W. and Glew, D.W., Trans. Faraday Soc. 62, 539 (1966).Google Scholar
14. Phillips, S.L., Phillips, C.A., and Skeen, J., Lawrence Berkeley Laboratory Report No. LBL-14996, 1985.Google Scholar
15. Rimstidt, J.D. and Barnes, H.L., Geochim. Cosmochim. Acta 44, 1683 (1980).CrossRefGoogle Scholar
16. Marshall, W.L. and Franck, E.U., J. Phys. Chem. Ref. Data 10, 295 (1981).Google Scholar
17. Cheung, S.C.H., Oscarson, D.W., and Lopez, R.S., in Scientific Basis for Nuclear Waste Management VII, edited by McVay, G.L. (Elsevier Science Publishers, New York, 1984) pp. 711–718.Google Scholar
18. Letey, J. and Kemper, W.D., Soil Sci. Soc. Amer. Proc. 33, 25 (1969).Google Scholar
19. Jantzen, C.M. and Wicks, G.G., in Scientific Basis for Nuclear Waste Management VIII, edited by Jantzen, C.M., Stone, J.A., and Ewing, R.C. (Elsevier Science Publishers, New York, 1985) pp. 29–38.Google Scholar
20. Jones, T.E., Rockwell Hanford Operations Report No. RHO-BW-ST-37P, 1982.Google Scholar
21. Lindberg, R.D. and Runnells, D.D., Science 225, 925 (1984).Google Scholar
22. Wolery, T.J., Lawrence Livermore National Laboratory Report No. UCRL-53414, 1983.Google Scholar