Comparative evaluation of surface complexation models for radionuclide uptake by diverse geologic materials

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dc.contributor.authorPayne, TEen_AU
dc.contributor.authorDavis, JAen_AU
dc.contributor.authorOchs, Men_AU
dc.contributor.authorOlin, Men_AU
dc.contributor.authorTweed, CJen_AU
dc.contributor.authorAltmann, Sen_AU
dc.contributor.authorAskarieh, MMen_AU
dc.date.accessioned2009-11-23T04:22:28Zen_AU
dc.date.accessioned2010-04-30T04:52:05Zen_AU
dc.date.available2009-11-23T04:22:28Zen_AU
dc.date.available2010-04-30T04:52:05Zen_AU
dc.date.issued2006-09en_AU
dc.date.statistics2006-09en_AU
dc.description.abstractThis chapter summaries a major international modelling exercise, co-ordinated by the OECD Nuclear Energy Agency, in which independent scientific teams applied thermodynamic sorption models (TSMs) to a number of experimental adsorption data sets. A wide variety of models was employed to simulate and predict the data. In all the test cases, reasonable, broadly similar TSM approaches were adopted, but based on wide diversity of assumptions and methods of parameter estimation. The models were able to realistically, and with some predictive power, simulate the experimental data for a range of substrates, radionuclides and chemical conditions. However, sorption modelling has not reached a stage approaching standardisation. Basic features such as the stoichiometry and structure of surface complexes and mathematical formulations for such model components as the EDL are subject to debate. In addition, key model input parameters such as site populations are not well defined (particularly for natural substrates). As a result, the numerical values of optimised model parameters are highly model- dependent, which means that, in the present study, it has not been meaningful to compare individual model parameters (such as log K values for surface complexes). If a consensus is reached on model components, and uniform modelling approaches are adopted, it will be appropriate to do such a comparison. Until that time, modellers need to recognise that model parameters can typically not be used directly in other models, but that they need to be scaled or re-fitted. Although the modelling strategies differed among the teams, all were guided by a single principle, representation of sorption in terms of mass action and mass balance laws. The generally satisfactory results of this intercomparison suggest that these types of models have inbuilt chemical plausibility and predictive capabililty. © 2006, Elsevier Ltd.en_AU
dc.identifier.booktitleSurface Complexation Modellingen_AU
dc.identifier.chapter22en_AU
dc.identifier.citationPayne, T. E., Davis, J. A., Ochs, M., Olin, M., Tweed, C. J., & Altmann, S., & Askarieh, M. M. (2006). Comparative evaluation of surface complexation models for radionuclide uptake by diverse geologic materials. In J. Lutzenkirchen (Ed.), Surface Complexation Modelling (chapter 22, pp. 605-633). Amsterdam, Netherlands: Elsevier. doi:10.1016/S1573-4285(06)80066-9en_AU
dc.identifier.editorsJ. Lutzenkirchenen_AU
dc.identifier.govdoc1003en_AU
dc.identifier.isbn9780123725721en_AU
dc.identifier.isbn0123725720en_AU
dc.identifier.pagination605-633en_AU
dc.identifier.placeofpublicationAmsterdam, Netherlandsen_AU
dc.identifier.urihttp://dx.doi.org/10.1016/S1573-4285(06)80066-9en_AU
dc.identifier.urihttp://apo.ansto.gov.au/dspace/handle/10238/2449en_AU
dc.language.isoenen_AU
dc.publisherElsevieren_AU
dc.relation.ispartofseriesInterface Science and Technologyen_AU
dc.relation.ispartofseriesVol. 11en_AU
dc.subjectSorptionen_AU
dc.subjectRadioisotopesen_AU
dc.subjectComplexesen_AU
dc.subjectGeologic modelsen_AU
dc.subjectStandardizationen_AU
dc.subjectSubstratesen_AU
dc.titleComparative evaluation of surface complexation models for radionuclide uptake by diverse geologic materialsen_AU
dc.typeBook chapteren_AU
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