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Solubility and speciation calculation for uranium, plutonium, neptunium and thorium in natural groundwaters. Theory, thermodynamic data bases and first applications. Loeslichkeits- und Speziationsberechnungen fuer U, Pu, Np und Th in natuerlichen Grundwaessern. Theorie, thermodynamische Dateien und erste Anwendungen

Technical Report:

Abstract

The computer code MINEQL was adapted and extended to assess the solubility and speciation of radioactive waste nuclides in groundwaters under conditions which are expected to exist in the surroundings of planned underground repositories. By means of an additional data base including standard reaction enthalpies and heat capacities at 25 degrees C, the relevant equilibrium constants at 25 degrees C can be converted to other temperatures using Ulich's formulae. The activity coefficients for dissolved species are modelled with a temperature dependent function of the Davies' approximation type. The report is segmented in three main parts: (1) a review of the MINEQL fundamentals and a summary of the theory needed for the extensions; (2) an outline of the general programme structure and of criteria applied to the selection of thermodynamic data; (3) a discussion of the results from first model applications to evaluate the solubility and speciation of U, Pu, Np and Th in two Swiss groundwaters, based either on the approach of negligible chemical disturbance or on a solid/solution titration concept. All thermodynamic data involved in this study are collected in an appendix, together with a compilation of references.
Authors:
Publication Date:
Nov 01, 1981
Product Type:
Technical Report
Report Number:
NAGRA-NTB-81-13
Reference Number:
AIX-18-085097; EDB-87-172118
Subject:
54 ENVIRONMENTAL SCIENCES; 12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE WASTES FROM NUCLEAR FACILITIES; 11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS; GROUND WATER; RADIONUCLIDE MIGRATION; NEPTUNIUM; RADIOECOLOGICAL CONCENTRATION; SOLUBILITY; PLUTONIUM; RADIOACTIVE WASTE DISPOSAL; UNDERGROUND DISPOSAL; THORIUM; URANIUM; COMPILED DATA; COMPLEXES; COMPUTER CALCULATIONS; ENTHALPY; EQUILIBRIUM; M CODES; RADIOISOTOPES; SPECIFIC HEAT; TEMPERATURE DEPENDENCE; THEORETICAL DATA; THERMODYNAMICS; TITRATION; ACTINIDES; COMPUTER CODES; DATA; ECOLOGICAL CONCENTRATION; ELEMENTS; ENVIRONMENTAL TRANSPORT; HYDROGEN COMPOUNDS; INFORMATION; ISOTOPES; MANAGEMENT; MASS TRANSFER; METALS; NUMERICAL DATA; OXYGEN COMPOUNDS; PHYSICAL PROPERTIES; THERMODYNAMIC PROPERTIES; TRANSURANIUM ELEMENTS; WASTE DISPOSAL; WASTE MANAGEMENT; WATER; 520300* - Environment, Aquatic- Radioactive Materials Monitoring & Transport- (1989); 052002 - Nuclear Fuels- Waste Disposal & Storage; 053000 - Nuclear Fuels- Environmental Aspects
OSTI ID:
6081757
Research Organizations:
Nationale Genossenschaft fuer die Lagerung Radioaktiver Abfaelle (NAGRA), Baden (Switzerland)
Country of Origin:
Switzerland
Language:
German
Availability:
Nagra, CH-5401 Baden, Switzerland.
Submitting Site:
INIS
Size:
Pages: 112
Announcement Date:

Technical Report:

Citation Formats

Schweingruber, M. Solubility and speciation calculation for uranium, plutonium, neptunium and thorium in natural groundwaters. Theory, thermodynamic data bases and first applications. Loeslichkeits- und Speziationsberechnungen fuer U, Pu, Np und Th in natuerlichen Grundwaessern. Theorie, thermodynamische Dateien und erste Anwendungen. Switzerland: N. p., 1981. Web.
Schweingruber, M. Solubility and speciation calculation for uranium, plutonium, neptunium and thorium in natural groundwaters. Theory, thermodynamic data bases and first applications. Loeslichkeits- und Speziationsberechnungen fuer U, Pu, Np und Th in natuerlichen Grundwaessern. Theorie, thermodynamische Dateien und erste Anwendungen. Switzerland.
Schweingruber, M. 1981. "Solubility and speciation calculation for uranium, plutonium, neptunium and thorium in natural groundwaters. Theory, thermodynamic data bases and first applications. Loeslichkeits- und Speziationsberechnungen fuer U, Pu, Np und Th in natuerlichen Grundwaessern. Theorie, thermodynamische Dateien und erste Anwendungen." Switzerland.
@misc{etde_6081757,
title = {Solubility and speciation calculation for uranium, plutonium, neptunium and thorium in natural groundwaters. Theory, thermodynamic data bases and first applications. Loeslichkeits- und Speziationsberechnungen fuer U, Pu, Np und Th in natuerlichen Grundwaessern. Theorie, thermodynamische Dateien und erste Anwendungen}
author = {Schweingruber, M}
abstractNote = {The computer code MINEQL was adapted and extended to assess the solubility and speciation of radioactive waste nuclides in groundwaters under conditions which are expected to exist in the surroundings of planned underground repositories. By means of an additional data base including standard reaction enthalpies and heat capacities at 25 degrees C, the relevant equilibrium constants at 25 degrees C can be converted to other temperatures using Ulich's formulae. The activity coefficients for dissolved species are modelled with a temperature dependent function of the Davies' approximation type. The report is segmented in three main parts: (1) a review of the MINEQL fundamentals and a summary of the theory needed for the extensions; (2) an outline of the general programme structure and of criteria applied to the selection of thermodynamic data; (3) a discussion of the results from first model applications to evaluate the solubility and speciation of U, Pu, Np and Th in two Swiss groundwaters, based either on the approach of negligible chemical disturbance or on a solid/solution titration concept. All thermodynamic data involved in this study are collected in an appendix, together with a compilation of references.}
place = {Switzerland}
year = {1981}
month = {Nov}
}