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Radionuclide Sorption Modeling Using the Minteqa2 Speciation Code

Published online by Cambridge University Press:  01 January 1992

David R. Turner,
T. Griffin and
T.B. Dietrich
David R. Turner
Affiliation:
Center for Nuclear Waste Regulatory Analyses, Southwest Research Institute, 6220 Culebra Road, San Antonio, TX 78228-0510
T. Griffin
Affiliation:
Center for Nuclear Waste Regulatory Analyses, Southwest Research Institute, 6220 Culebra Road, San Antonio, TX 78228-0510
T.B. Dietrich
Affiliation:
Center for Nuclear Waste Regulatory Analyses, Southwest Research Institute, 6220 Culebra Road, San Antonio, TX 78228-0510
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Abstract

The MINTEQA2 database has been updated and expanded to include radionuclide data from the most recent release of the EQ3/6 database. Comparison of U(VI)-speciation predicted using the old and new MINTEQA2 databases indicates several significant differences, including the introduction of neutral and anionic species at neutral to alkaline pH. In contrast, comparison of results calculated by EQ3 and MINTEQA2, both using Nuclear Energy Agency (NEA) uranium data, reveals only small differences that are likely due to differences in calculated activity coefficients.

With the new database, MINTEQA2 was used to model U(VI)-goethite sorption data from the literature with the Triple-Layer Model (TLM). Values were independently fixed forall but one of the model parameters. The parameter optimization code FITEQL was then used to determine binding constants for mononuclear uranium complexes (UO2(OH)n 2−n). The surface complex MOH2-UO2(OH)4 − produced a very good fit of the sorption data, which was not significantly improved by the use of two or more surface complexes.

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