Trace metal speciation in natural waters: Computational vs. analytical

Water, Air, and Soil Pollution

Volumn 90, Issue 1-2, 1996, Pages 257-267

  Kirk Nordstrom, D ^a  

^a U S GEOLOGICAL SURVEY   (United States)

Author keywords

chemical model; natural waters; speciation; Trace metals

Indexed keywords

METAL COMPLEX; TRACE METAL;

ANALYTIC METHOD; ANODIC STRIPPING POTENTIOMETRY; ARTICLE; ATOMIC ABSORPTION SPECTROMETRY; ION EXCHANGE; ION SELECTIVE ELECTRODE; OXIDATION REDUCTION POTENTIAL; POTENTIOMETRY; RELIABILITY; SOLUBILITY; THERMODYNAMICS; WATER ANALYSIS; WATER POLLUTION; WATER SAMPLING;

CHEMICAL MODEL; SPECIATION; TRACE METAL;

COMPUTATIONAL METHODS; MATHEMATICAL MODELS; MEASUREMENTS; SOLUBILITY; SURFACE WATERS; THERMODYNAMICS; WATER ANALYSIS;

CHEMICAL MODELS; MEAN ACTIVITY COEFFICIENTS; NATURAL WATERS; POTENTIOMETRY; SPECIATION; TRACE METAL SPECIATION; TRACE METALS;

TRACE ELEMENTS;

EID: 0029663345     PISSN: 00496979     EISSN: None     Source Type: Journal    
DOI: 10.1007/BF00619286     Document Type: Article

References (47)

1. Ahonen, L., Ervanne, H., Jaakola, T., and Blomqvist, R.: 1994, Radiochim. Acta, XX, 1-7.
2. Allison, J. D. and Brown, D. S.: 1995, "MINTEQA2/PRODEFA2 - A geochemical speciation model and interactive preprocessor," In Chemical Equilibrium and Reaction Models, R.H. Loeppert, A.P. Schwab, and S. Goldberg, editors, Soil Science Society of America Special Publication Number 42, 253-270.
3. Allison, J. D., Brown, D. S., and Novo-Gradac, K. J.: 1991 "MINTEQA2/PRODEFA2, a geochemical assessment model for environmental systems: Version 3.00 user's manual," EPA-600/3-91-021.
4. Baes, C. F., Jr., Reardon, E. J., and Moyer, B. A.: 1993, J. Phys. Chem., 97, 12343-12348.
5. Ball, J. W. and Nordstrom, D. K.: 1985, "Major and trace-element analyses of acid mine waters in the Leviathan mine drainage basin, California/Nevada - October, 1981 to October, 1982," U.S. Geological Survey Water-Resources Investigations Report 85-4169.
6. Ball, J. W. and Nordstrom, D. K.: 1989, "Final revised analyses of major and trace elements from acid mine waters in the Leviathan mine drainage basin, California and Nevada - October 1981 to October 1982," U.S. Geological Survey Water-Resources Investigations Report 89-4138.
7. Ball, J. W. and Nordstrom, D. K.: 1992, "User's manual for WATEQ4F, with revised thermodynamic data base and test cases for calculating speciation of major, trace and redox elements in natural waters," U.S. Geological Survey Open-File Report 91-183, revised and reprinted.
8. Ball, J. W., Nordstrom, D. K., and Jenne, E. A.: 1980, "Additional and revised thermochemical data and computer code for WATEQ2 - a computerized chemical model for trace and major element speciation and mineral equilibria of natural waters," U.S Geological Survey Water-Resources Invetigations Report 78-116.
9. Batley, G. E.: 1989, "Physicochemical separation methods for trace element speciation in aquatic samples," In Trace Element Speciation: Analytical methods and problems, G.E. Batley, editor, CRC Press, Inc., Boca Raton, Florida, 43-76.
10. Bertsch, P. A. and Anderson, M. A.: 1989, Anal. Chem., 61, 535-539.
11. Broyd, T. W., Grant, M. M., and Cross, J. E.: 1985, "A report on intercomparison studies of computer programs which respectively model: (i) Radionuclide migration, (ii) Equilibrium chemistry of groundwater" EUR 10231 EN, CEC, Luxembourg.
12. Buck, R. P.: 1979, "Crystalline and pressed powder solid membrane electrodes," In Ion-Selective Electrode Methodology, A.K. Covington, editor, CRC Press, Inc., Boca Raton, Florida, 175-250.
13. Butler, J. N.: 1964, Ionic Equilibrium: A mathematical approach, Addison-Wesley, Reading, Massachusetts.
14. Cox, J. D., Wagman, D. D., and Medvedev, V. A.: 1989, CODATA key values for thermodynamics, Hemisphere Publishing Corporation, 271 pp.
15. Driscoll, C. T.: 1984, Int. J. Environ. Anal. Chem., 16, 267-283.
16. Florence, T. M.: 1982, Talanta, 29, 345.
17. Florence, T. M.: 1989, "Electrochemical techniques for trace element speciation in natural waters," In Trace Element Speciation: Analytical methods and problems, G.E. Batley, editor, CRC Press, Inc, Boca Raton, Florida, 77-116.
18. Hart, B. T. and Jones, M. J.: 1984, "Measurement of the trace metal complexing capacity of Magela Creek waters," In Complexation of Trace Metals in Natural Waters,. C.J.M. Kramer and J.C. Duinker, editors, The Hague: Martinus Nijhoff/Dr. W. Junk Publishers, 201-212.
19. Harvie, C. E. and Weare, J. H.: 1980, Geochim. Cosmochim. Acta., 44, 981-997.
20. Holm, T. R. and Curtiss, C. D., III: 1990, "Copper complexation by natural organic matter in ground water," In Chemical Modeling in Aqueous Systems II, D.C. Melchior and R.L. Bassett, editors, American Chemical Society Symposium Series 416, Washington, D.C.:, 508-518.
21. Kerfoot, H. B., Lewis, T. E., Hillman, D. C., and Faber, M. L.: 1987, National Surface Water Survey, Eastern Lake Survey (Phase II - Temporal Variability) Analytical Methods Manual, EPA - 600/X-87/008
22. Kushner, D. J.: 1993, WaterPollut. Res. J.Canada, 28(1), 111.
23. Lund, W.: 1986, "Electrochemical methods and their limitations for the determination of metal species in natural waters," In The Importance of Chemical "Speciation" in Environmental Processes, M. Bernhard, editor, Springer-Verlag, Berlin 533-561.
24. 3+ ion activities to compute Eh and ferric oxyhydroxide solubilities in anaerobic systems," In Chemical Modeling in Aqueous Systems II, D.C. Melchior and R.L. Bassett, editors, American Chemical Society Symposium Series 416, Washington, D.C., 350-367.
25. McGrath, S. P., Sanders, J. R., Laurie, S. H., and Tancock, N. P.: 1986, Analyst (London), 111, 459-465.
26. Morris, J. C. and Stumm, W.: 1967, "Redox equilibria and measurements of potentials in the aquatic environment," In Equilibrium Concepts in Natural Water Systems, W. Stumm, editor, American Chemical Society Symposium Series 67, Washington, D.C., 270-285.
27. Morrison, G. M. P.: 1989, "Trace element speciation and its relationship to bioavailability and toxicity in natural waters," In Trace Element Speciation: Analytical methods and problems, G.E. Batley, editor, CRC Press, Inc., Boca Raton, Florida, 25-42.
28. Nordstrom, D. K., Jenne, E. A., and Ball, J. W.: 1979, "Redox equilibria of iron in acid mine waters," In Chemical Modeling in Aqueous Systems, E.A. Jenne, editor., American Chemical Society Symposium 93, Washington, D.C., 51-80.
29. Nordstrom, D. K., Plummer, L. N., Wigley, T. M. L., Wolery, T. J., Ball, J. W., Jenne, E. A., Bassett, R. L., Crerar, D. A., Florence, T. M., Fritz, B., Hoffman, M., Holdren, G. R., Jr., Lafon, G. M., Mattigod, S. V., McDuff, R. E., Morel, F., Reddy, M. M., Sposito, G., Thrailkill, J.: 1979, "Comparison of computerized chemical models for equilibrium calculations in aqueous systems," In Chemical Modeling in Aqueous Systems, E.A. Jenne, editor, American Chemical Society Symposium Series 93, Washington, D.C., 857-892.
30. Noronha, C. J., and Pearson, F. J., Jr.: 1983, Geochemical models suitable for performance assessment of nuclear waste storage: Comparison of PHREEQE and EQ3/6, Intera Technical Report, ONWI-473.
31. Parker, D. R., Norvell, W. A., and Chaney, R. L.: 1995, "GEOCHEM-PC - A Chemical speciation program for IBM and compatible personal computers," In Chemical Equilibrium and Reactrion Models, R.H. Loeppert, A.P. Schwab, and S. Goldberg, editors, Soil Science Society of America Special Publication Number 42, 253-270.
32. Parkhurst, D. L.: 1990, "Ion-association models and mean activity coefficients of various salts," In Chemical Modeling of Aqueous Systems II, D.C. Melchior and R.L. Bassett, editors, American Chemical Society Symposium Series 416, Washington, D.C., 30-43.
33. Parkhurst, D.L., Thorstenson, D. C., and Plummer, L. N.: 1980, "PHREEQE - a computer program for geochemical calculations," U.S. Geological Survey Water-Resources Investigations Report 80-96.
34. Peden, M. E., Amankwah, S. A., Keller, B. J., Krug, E. C., and Peden, J. M.: 1989, Evaluation of aluminum speciation using synthetic and natural samples: Final report, Illinois State Water Survey, Champaign, Illinois, USEPA Cooperative Agreement CR813489-01.
35. Pitzer, K. S.: 1992, "Ion interaction approach: Theory and data correlation," In Activity Coefficients in Electrolyte Solutions, K.S. Pitzer, editor, CRC Press, Inc., Boca Raton, Florida, 75-154.
36. Poulson, R. E., Powers, C. R., and Essington, M. E.: 1987, "Validation of inorganic chemical speciation for geochemical models," Western Res. Inst. DOE/MC/11076 - 2459, DE88 011565.
37. Ptacek, C. J.: 1992, Experimental determination of siderite solubility in high ionic-strength solutions, Ph.D. thesis, University of Waterloo, Waterloo, Canada, 331 pp.
38. Reardon, E. J.: 1988, J. Phys. Chem., 92, 6426-6431.
39. Reardon, E. J.: 1989, J. Phys. Chem, 93, 4630-4636.
40. Reardon, E. J. and Beckie, R. D.: 1987, Geochim. Cosmochim. Acta, 51, 2355-2368.
41. Schecher, W. D. and Driscoll, C. T.: 1988, Water Resour. Res., 24(4), 533-540.
42. Sposito, G. and Mattigod, S. V.: 1980, GEOCHEM: A computer program for the calculation of chemical equilibria in soil solutions and other natural water systems, Kearney Foundation of Soil Science, University of California, Riverside, CA.
43. Sposito, G., Bingham, F. T., Yadav, S. S., and Inouye, C. A.: 1982, Soil Sci. Soc. Am. J., 46(1), 51-56.
44. Stipp, S. L. : 1990, Environ. Sci. Technol., 24(5), 699-705.
45. Stipp, S. L. S., Parks, G. A., Nordstrom, D. K., and Leckie, J. O.: 1993, Geochim. Cosmochim. Acta, 57(12), 2699-2713.
46. Waite, T. D.: 1989, "Mathematical modeling of trace element speciation," In Trace Element Speciation: Analytical methods and problems, G.E. Batley, editor, CRC Press, Inc., Boca Raton, Florida, 117-184.
47. Wolery, T. J.: 1992, "EQ3NR, A computer program for geochemical aqueous speciation-solubility calculations: Theoretical manual, user's guide, and related documentation (Version 7.0)," Lawrence Livermore National Laboratory, UCRL-MA-110662 PT III.