Abstract
This review provides an overview of the chemical thermodynamics on ternary earth-alkaline metal-actinyl-tricarbonate systems (i.e., M-AnO2-CO3, M = Mg, Ca, Sr, and Ba) and discusses the aqueous complexation and dissolution/precipitation equilibrium for these ternary aqueous systems. The aqueous ternary U(VI) carbonate species are remarkably predominant in the U(VI) speciation under natural environmental conditions at ambient temperature and moderate ionic strength condition, while the omnipresence, according to recent studies, would be hindered by an increase in temperature and ionic strength. With respect to the ternary solid U(VI) carbonate phases, most of the previously reported data have been focused on physical properties and thus a notable lack of available data on chemical thermodynamic properties, i.e., solubility product constant, has been identified. Nevertheless, substantial influences of these ternary M-AnO2-CO3 systems on the aqueous speciation and the solubility limiting phase under the natural environmental condition are taken into account according to the thermodynamic calculation. The authors point out that the completeness of the chemical thermodynamic model for predicting the chemical behavior of actinides in nature can be further improved on the basis of a sufficient understanding of ternary M-AnO2-CO3 systems.
-
Author contributions: All the authors have accepted responsibility for the entire content of this submitted manuscript and approved submission.
-
Research funding: This work was supported by the National Research Foundation of Korea (NRF) grant funded by the Korea government (MSIT) (NRF-2021M2E1A1085204, NRF-2016M2B2B1945252, NRF-2017M2A8A5014801) and Korea Institute of Energy Technology Evaluation and Planning (No. 20193210100110).
-
Conflict of interest statement: The authors declare no conflicts of interest regarding this article.
References
1. Bernhard, G., Geipel, G., Brendler, V., Nitsche, H. Speciation of uranium in seepage waters of a mine tailing pile studied by time-resolved laser-induced fluorescence spectroscopy (TRLFS). Radiochim. Acta 1996, 74, 87–92.10.1524/ract.1996.74.special-issue.87Search in Google Scholar
2. Prat, O., Vercouter, T., Ansoborlo, E., Fichet, P., Perret, P., Kurttio, P., Salonen, L. Uranium speciation in drinking water from drilled wells in southern finland and its potential links to health effects. Environ. Sci. Technol. 2009, 43, 3941–3946.10.1021/es803658eSearch in Google Scholar PubMed
3. Lee, J.-Y., Yun, J.-I. Formation of ternary CaUO2(CO3)32− and Ca2UO2(CO3)3(aq) complexes under neutral to weakly alkaline conditions. Dalton Trans. 2013, 42, 9862–9869.10.1039/c3dt50863cSearch in Google Scholar PubMed
4. Tullborg, E.-L., Suksi, J., Geipel, G., Krall, L., Auqué, L., Gimeno, M., Puigdomenech, I. The occurrences of Ca2UO2(CO3)3 complex in Fe(II) containing deep groundwater at Forsmark, eastern Sweden. Procedia Earth Planet. Sci. 2017, 17, 440–443.10.1016/j.proeps.2016.12.111Search in Google Scholar
5. Reeves, B., Beccia, M. R., Solari, P. L., Smiles, D. E., Shuh, D. K., Berthomieu, C., Marcellin, D., Bremond, N., Mangialajo, L., Pagnotta, S., Monfort, M., Moulin, C., Den Auwer, C. Uranium uptake in paracentrotus lividus sea urchin, accumulation and speciation. Environ. Sci. Technol. 2019, 53, 7974–7983.10.1021/acs.est.8b06380Search in Google Scholar PubMed
6. Grenthe, I., Gaona, X., Plyasunov, A. V., Rao, L., Runde, W. H., Grambow, B., Konings, R. J. M., Smith, A. L., Moore, E. E. Second Update on the Chemical Thermodynamics of Uranium, Neptunium, Plutonium, Americium and Technetium; OECD Nuclear Energy Agency Data Bank, Ed.; OECD Publications: Paris, France, 14, 2020.Search in Google Scholar
7. Brooks, S. C., Fredrickson, J. K., Carroll, S. L., Kennedy, D. W., Zachara, J. M., Plymale, A. E., Kelly, S. D., Kemner, K. M., Fendorf, S. Inhibition of bacterial U(VI) reduction by calcium. Environ. Sci. Technol. 2003, 37, 1850–1858.10.1021/es0210042Search in Google Scholar PubMed
8. Wan, J., Tokunaga, T. K., Brodie, E., Wang, Z., Zheng, Z., Herman, D., Hazen, T. C., Firestone, M. K., Sutton, S. R. Reoxidation of bioreduced uranium under reducing conditions. Environ. Sci. Technol. 2005, 39, 6162–6169.10.1021/es048236gSearch in Google Scholar PubMed
9. Zheng, Z., Tokunaga, T. K., Wan, J. Influence of calcium carbonate on U(VI) sorption to soils. Environ. Sci. Technol. 2003, 37, 5603–5608.10.1021/es0304897Search in Google Scholar PubMed
10. Fox, P. M., Davis, J. A., Zachara, J. M. The effect of calcium on aqueous uranium(VI) speciation and adsorption to ferrihydrite and quartz. Geochem. Cosmochim. Acta 2006, 70, 1379–1387.10.1016/j.gca.2005.11.027Search in Google Scholar
11. Stewart, B. D., Mayes, M. A., Fendorf, S. Impact of uranyl−calcium−carbonato complexes on uranium(VI) adsorption to synthetic and natural sediments. Environ. Sci. Technol. 2010, 44, 928–934.10.1021/es902194xSearch in Google Scholar PubMed
12. Kerisit, S., Liu, C. Diffusion and adsorption of uranyl carbonate species in nanosized mineral fractures. Environ. Sci. Technol. 2012, 46, 1632–1640.10.1021/es2027696Search in Google Scholar PubMed
13. Smith, J. L. Two new minerals, - medjidite (sulphate of uranium and lime) - liebigite (carbonate of uranium and lime). Am. J. Sci. Arts 1848, 5, 336–338.Search in Google Scholar
14. Evans, H. T.Jr., Frondel, C. Studies of uranium minerals (II): liebigite and uranothallite. Am. Mineral. 1950, 35, 251–254.Search in Google Scholar
15. Meyrowitz, R., Ross, D. R., Weeks, A. D., Synthesis of liebigite, U. S. Geological Survey Professional Papers Nr. 475-B. 1963; http://pubs.er.usgs.gov/publication/pp475B.Search in Google Scholar
16. Appleman, D. Crystal structure of liebigite. Bull. Geol. Soc. Am. 1956, 67, 1666.Search in Google Scholar
17. Mereiter, K. The crystal structure of Liebigite, Ca2UO2(CO3)3∼11H2O. Mineral. Petrol. 1982, 30, 277–288.10.1007/BF01087173Search in Google Scholar
18. Axelrod, J. M., Grimaldi, F. S., Milton, C., Murata, K. J. The uranium minerals from the Hillside mine, Yavapai County, Arizona. Am. Mineral. 1951, 36, 1–22.Search in Google Scholar
19. Coda, A., Della Giusta, A., Tazzoli, V. The structure of synthetic andersonite, Na2Ca[UO2(CO3)3]·xH2O (x∼5·6). Acta Crystallogr. B 1981, 37, 1496–1500.10.1107/S0567740881006432Search in Google Scholar
20. Mayer, H., Mereiter, K. Synthetic bayleyite, Mg2[UO2(CO3)3]18H2O: thermochemistry, crystallography and crystal structure. Tschermaks mineralogische und petrographische Mitteilungen 1986, 35, 133–146.10.1007/BF01140845Search in Google Scholar
21. Mereiter, K. Synthetic Swartzite, CaMg[UO2(CO3)3]·12H2O, and its Strontium Analogue, SrMg[UO2(CO3)3]·12H2O: Crystallography and Crystal Structures; Neues Jahrbuch fur Mineralogie: Monatshefte, 1986; pp. 481–492.Search in Google Scholar
22. Davies, C. W. Ion Association; Butterworths: Washington, D.C., 1962.Search in Google Scholar
23. Ciavatta, L. The specific interaction theory in evaluating ionic equilibria. Ann. Chim.(Rome) 1980, 70, 551.Search in Google Scholar
24. Grenthe, I., Mompean, F., Spahiu, K., Wanner, H. Guidelines for the Extrapolation to Zero Ionic Strength; OECD Nuclear Energy Agency Data Bank, Ed.; OECD Publications: Paris, France, 2013.Search in Google Scholar
25. Puigdomènech, I., Rard, J. A., Plyasunov, A. V., Grenthe, I. Temperature Corrections to Thermodynamic Data and Enthalpy Calculations; OECD Nuclear Energy Agency Data Bank, Ed.; OECD Publications: Paris, France, 1999.Search in Google Scholar
26. Grenthe, I., Puigdomenech, I. Modelling in Aquatic Chemistry; OECD-NEA: Paris, France, 1997.Search in Google Scholar
27. Kalmykov, S. N., Choppin, G. R. Mixed Ca2+/UO22+/CO32− complex formation at different ionic strengths. Radiochim. Acta 2000, 88, 603–608.10.1524/ract.2000.88.9-11.603Search in Google Scholar
28. Bernhard, G., Geipel, G., Reich, T., Brendler, V., Amayri, S., Nitsche, H. Uranyl(VI) carbonate complex formation: validation of the Ca2UO2(CO3)3(aq.) species. Radiochim. Acta 2001, 89, 511–518.10.1524/ract.2001.89.8.511Search in Google Scholar
29. Dong, W., Brooks, S. C. Determination of the formation constants of ternary complexes of uranyl and carbonate with alkaline earth metals (Mg2+, Ca2+, Sr2+, and Ba2+) using anion exchange method. Environ. Sci. Technol. 2006, 40, 4689–4695.10.1021/es0606327Search in Google Scholar PubMed
30. Endrizzi, F., Rao, L. Chemical speciation of uranium(VI) in marine environments: Complexation of calcium and magnesium ions with [(UO2)(CO3)3]4− and the effect on the extraction of uranium from seawater. Chem. Eur J. 2014, 20, 14499–14506.10.1002/chem.201403262Search in Google Scholar PubMed
31. Jo, Y., Kirishima, A., Kimuro, S., Kim, H.-K., Yun, J.-I. Formation of CaUO2(CO3)32− and Ca2UO2(CO3)3(aq) complexes at variable temperatures (10–70 °C). Dalton Trans. 2019, 48, 6942–6950.10.1039/C9DT01174ASearch in Google Scholar
32. Helgeson, H. C. Thermodynamics of complex dissociation in aqueous solution at elevated temperatures. J. Phys. Chem. 1967, 71, 3121–3136.10.1021/j100869a002Search in Google Scholar
33. Shang, C., Reiller, P. E. Determination of formation constants and specific ion interaction coefficients for CanUO2(CO3)3(4−2n)− complexes in NaCl solution by time-resolved laser-induced luminescence spectroscopy. Dalton Trans. 2020, 49, 466–481.10.1039/C9DT03543ESearch in Google Scholar
34. Shang, C., Reiller, P. E., Vercouter, T. Spectroluminescence measurements of the stability constants of CanUO2(CO3)3(4−2n)− complexes in NaClO4 medium and the investigation of interaction effects. Dalton Trans. 2020, 49, 15443–15460.10.1039/D0DT03164JSearch in Google Scholar
35. Maia, F. M. S., Ribet, S., Bailly, C., Grivé, M., Madé, B., Montavon, G. Evaluation of thermodynamic data for aqueous Ca-U(VI)-CO3 species under conditions characteristic of geological clay formation. Appl. Geochem. 2021, 124, 104844.10.1016/j.apgeochem.2020.104844Search in Google Scholar
36. Shang, C., Reiller, P. E. Effect of temperature on the complexation of triscarbonatouranyl(VI) with calcium and magnesium in NaCl aqueous solution. Dalton Trans. 2021, 50, 17165–17180.10.1039/D1DT03204FSearch in Google Scholar
37. Parkhurst, D. L., Appelo, C. A. J. Description of input and examples for PHREEQC Version 3: A Computer Program for Speciation, Batch-Reaction, One-Dimensional Transport, and Inverse Geochemical Calculations, U.S. Geological Survey Techniques and Methods, book 6, chap. A43., 497 p. 2013. http://pubs.er.usgs.gov/publication/tm6A43.10.3133/tm6A43Search in Google Scholar
38. Kinniburgh, D. G., Cooper, D. M. PhreePlot: Creating Graphical Output with PHREEQC, 2011. http://www.phreeplot.org.Search in Google Scholar
39. Plummer, L. N., Busenberg, E. The solubilities of calcite, aragonite and vaterite in CO2-H2O solutions between 0 and 90°C, and an evaluation of the aqueous model for the system CaCO3-CO2-H2O. Geochem. Cosmochim. Acta 1982, 46, 1011–1040.10.1016/0016-7037(82)90056-4Search in Google Scholar
40. Neiss, J., Stewart, B. D., Nico, P. S., Fendorf, S. Speciation-dependent microbial reduction of uranium within iron-Coated sands. Environ. Sci. Technol. 2007, 41, 7343–7348.10.1021/es0706697Search in Google Scholar PubMed
41. Stewart, B. D., Neiss, J., Fendorf, S. Quantifying constraints imposed by Calcium and iron on bacterial reduction of uranium(VI). J. Environ. Qual. 2007, 36, 363–372.10.2134/jeq2006.0058Search in Google Scholar PubMed
42. Sheng, L., Szymanowski, J., Fein, J. B. The effects of uranium speciation on the rate of U(VI) reduction by Shewanella oneidensis MR-1. Geochem. Cosmochim. Acta 2011, 75, 3558–3567.10.1016/j.gca.2011.03.039Search in Google Scholar
43. Xie, J., Wang, J., Lin, J. New insights into the role of calcium in the bioreduction of uranium(VI) under varying pH conditions. J. Hazard Mater. 2021, 411, 125140.10.1016/j.jhazmat.2021.125140Search in Google Scholar PubMed
44. Dong, W., Brooks, S. C. Formation of Aqueous MgUO2(CO3)32− complex and uranium anion exchange mechanism onto an exchange resin. Environ. Sci. Technol. 2008, 42, 1979–1983.10.1021/es0711563Search in Google Scholar PubMed
45. Wu, W., Priest, C., Zhou, J., Peng, C., Liu, H., Jiang, D.-e. Solvation of the Ca2UO2(CO3)3 complex in seawater from classical molecular dynamics. J. Phys. Chem. B 2016, 120, 7227–7233.10.1021/acs.jpcb.6b05452Search in Google Scholar PubMed
46. Li, B., Zhou, J., Priest, C., Jiang, D.-e. Effect of salt on the uranyl binding with carbonate and calcium ions in aqueous solutions. J. Phys. Chem. B 2017, 121, 8171–8178.10.1021/acs.jpcb.7b04449Search in Google Scholar PubMed
47. Guillaumont, R., Fanghänel, T., Neck, V., Fuger, J., Palmer, D. A., Grenthe, I., Rand, M. H. Update on the Chemical Thermodynamics of Uranium, Neptunium, Plutonium, Americium and Technetium, Vol. 5; Chemical Thermodynamics: Amsterdam, 2003.Search in Google Scholar
48. Geipel, G., Amayri, S., Bernhard, G. Mixed complexes of alkaline earth uranyl carbonates: a laser-induced time-resolved fluorescence spectroscopic study. Spectrochim. Acta Mol. Biomol. Spectrosc. 2008, 71, 53–58.10.1016/j.saa.2007.11.007Search in Google Scholar PubMed
49. Lee, J.-Y., Vespa, M., Gaona, X., Dardenne, K., Rothe, J., Rabung, T., Altmaier, M., Yun, J.-I. Formation, stability and structural characterization of ternary MgUO2(CO3)32− and Mg2UO2(CO3)3(aq) complexes. Radiochim. Acta 2017, 105, 171–185.10.1515/ract-2016-2643Search in Google Scholar
50. Jo, Y., Kim, H.-K., Yun, J.-I. Complexation of UO2(CO3)34− with Mg2+ at varying temperatures and its effect on U(VI) speciation in groundwater and seawater. Dalton Trans. 2019, 48, 14769–14776.10.1039/C9DT03313KSearch in Google Scholar PubMed
51. Shang, C., Reiller, P. E. The determination of the thermodynamic constants of MgUO2(CO3)32− complex in NaClO4 and NaCl media by time-resolved luminescence spectroscopy, and applications in different geochemical contexts. Dalton Trans. 2021, 50, 4363–4379.10.1039/D0DT04124FSearch in Google Scholar
52. Priest, C., Tian, Z., Jiang, D.-e. First-principles molecular dynamics simulation of the Ca2UO2(CO3)3 complex in water. Dalton Trans. 2016, 45, 9812–9819.10.1039/C5DT04576BSearch in Google Scholar
53. Oher, H., Vercouter, T., Réal, F., Shang, C., Reiller, P. E., Vallet, V. Influence of alkaline earth metal ions on structures and luminescent properties of NamMnUO2(CO3)3(4–m–2n)– (M = Mg, Ca; m, n = 0–2): time-resolved fluorescence spectroscopy and Ab Initio studies. Inorg. Chem. 2020, 59, 15036–15049.10.1021/acs.inorgchem.0c01986Search in Google Scholar PubMed
54. Balasubramanian, K., Chaudhuri, D. Computational modeling of environmental plutonyl mono-, di- and tricarbonate complexes with Ca counterions: structures and spectra: PuO2(CO3)22−, PuO2(CO3)2Ca, and PuO2(CO3)3Ca3. Chem. Phys. Lett. 2008, 450, 196–202.10.1016/j.cplett.2007.11.012Search in Google Scholar
55. Jo, Y., Cho, H.-R., Yun, J.-I. Visible-NIR absorption spectroscopy study of the formation of ternary plutonyl(VI) carbonate complexes. Dalton Trans. 2020, 49, 11605–11612.10.1039/D0DT01982HSearch in Google Scholar
56. Ikeda-Ohno, A., Tsushima, S., Takao, K., Rossberg, A., Funke, H., Scheinost, A. C., Bernhard, G., Yaita, T., Hennig, C. Neptunium carbonato complexes in aqueous solution: an electrochemical, spectroscopic, and quantum chemical study. Inorg. Chem. 2009, 48, 11779–11787.10.1021/ic901838rSearch in Google Scholar PubMed
57. Panasci, A. F., Harley, S. J., Zavarin, M., Casey, W. H. Kinetic studies of the [NpO2(CO3)3]4– ion at alkaline conditions using 13C NMR. Inorg. Chem. 2014, 53, 4202–4208.10.1021/ic500314vSearch in Google Scholar PubMed
58. Alwan, A. K., Williams, P. A. The aqueous chemistry of uranium minerals. Part 2. Minerals of the liebigite group. Mineral. Mag. 1980, 43, 665–667.10.1180/minmag.1980.043.329.17Search in Google Scholar
59. Gorman-Lewis, D., Burns, P. C., Fein, J. B. Review of uranyl mineral solubility measurements. J. Chem. Therm. 2008, 40, 335–352.10.1016/j.jct.2007.12.004Search in Google Scholar
60. Endrizzi, F., Leggett, C. J., Rao, L. Scientific basis for efficient extraction of uranium from seawater. I: understanding the chemical speciation of uranium under seawater conditions. Ind. Eng. Chem. Res. 2016, 55, 4249–4256.10.1021/acs.iecr.5b03679Search in Google Scholar
61. Barner, H. E., Scheuerman, R. V. Handbook of Thermochemical Data for Compounds and Aqueous Species, 1978.Search in Google Scholar
62. Grenthe, I., Fuger, J., Konings, R. J., Lemire, R. J., Muller, A. B., Nguyen-Trung, C., Wanner, H. Chemical Thermodynamics of Uranium; OECD Nuclear Energy Agency Data Bank, Ed.; OECD Publications: Paris, 1, 1992.Search in Google Scholar
63. O’Brien, T. J., Williams, P. A. The aqueous chemistry of uranium minerals. 4. Schröckingerite, grimselite, and related alkali uranyl carbonates. Mineral. Mag. 1983, 47, 69–73.10.1180/minmag.1983.047.342.12Search in Google Scholar
64. Vochten, R., van Haverbeke, L., van Springel, K. Synthesis of liebigite and andersonite, and study of their thermal behavior and luminescence. Can. Mineral. 1993, 31, 167–171.Search in Google Scholar
65. Vochten, R., Vanhaverbeke, L., Vanspringel, K., Blaton, N., Peeters, O. The structure and physicochemical characteristics of a synthetic phase compositionally intermediate between liebigite and andersonite. Can. Mineral. 1994, 32, 553–561.Search in Google Scholar
66. Amayri, S. Synthese Charakterisierung und Löslichkeit von Erdalkaliuranylcarbonaten M2[UO2(CO3)3]·xH2O; MSrBa. Ph.D. Thesis, Technischen Universität Dresden, Dresden, 2002.Search in Google Scholar
67. Lee, J.-Y., Amayri, S., Montoya, V., Fellhauer, D., Gaona, X., Altmaier, M. Solubility and stability of liebigite, Ca2UO2(CO3)3·10H2O(cr), in dilute to concentrated NaCl and NaClO4 solutions at T = 22–80 °C. Appl. Geochem. 2019, 111, 104374.10.1016/j.apgeochem.2019.104374Search in Google Scholar
© 2022 Walter de Gruyter GmbH, Berlin/Boston
