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Modeling cesium migration through Opalinus clay: a benchmark for single- and multi-species sorption-diffusion models
dc.contributor.author | Fernández Águila, Jesús | |
dc.contributor.author | Montoya, Vanessa | |
dc.contributor.author | Samper, Javier | |
dc.contributor.author | Montenegro, Luis | |
dc.contributor.author | Kosakowski, Georg | |
dc.contributor.author | Krejci, Philipp | |
dc.contributor.author | Pfingsten, Wilfried | |
dc.date.accessioned | 2024-09-10T17:05:27Z | |
dc.date.available | 2024-09-10T17:05:27Z | |
dc.date.issued | 2021 | |
dc.identifier.citation | Águila, J. F., Montoya, V., Samper, J., Montenegro, L., Kosakowski, G., Krejci, P., Pfingsten, W. (2021). Modeling cesium migration through Opalinus clay: a benchmark for single- and multi-species sorption-diffusion models. Computational Geosciences, 25(4), 1405-1436. https://doi.org/10.1007/S10596-021-10050-5 | es_ES |
dc.identifier.uri | http://hdl.handle.net/2183/38959 | |
dc.description.abstract | [Abstract:] Sophisticated modeling of the migration of sorbing radionuclides in compacted claystones is needed for supporting the safety analysis of deep geological repositories for radioactive waste, which requires robust modeling tools/codes. Here, a benchmark related to a long term laboratory scale diffusion experiment of cesium, a moderately sorbing radionuclide, through Opalinus clay is presented. The benchmark was performed with the following codes: CORE2DV5, Flotran, COMSOL Multiphysics, OpenGeoSys-GEM, MCOTAC and PHREEQC v.3. The migration setup was solved with two different conceptual models, i) a single-species model by using a look-up table for a cesium sorption isotherm and ii) a multi-species diffusion model including a complex mechanistic cesium sorption model. The calculations were performed for three different cesium boundary concentrations (10−3, 10−5, 10−7 mol / L) to investigate the models/codes capabilities taking into account the nonlinear sorption behavior of cesium. Generally, good agreement for both single- and multi-species benchmark concepts could be achieved, however, some discrepancies have been identified, especially near the boundaries, where code specific spatial (and time) discretization had to be improved to achieve better agreement at the expense of longer computation times. In addition, the benchmark exercise yielded useful information on code performance, setup options, input and output data management, and post processing options. Finally, the comparison of single-species and multi-species model concepts showed that the single-species approach yielded generally earlier breakthrough, because this approach accounts neither for cation exchange of Cs+ with K+ and Na+, nor K+ and Na+ diffusion in the pore water. | es_ES |
dc.description.sponsorship | The work from UDC was funded by the Spanish Ministry of Economy and Competitiveness (Project CGL2016-78281), the FEDER funds, ENRESA (Spain), and the Xunta de Galicia (Galician Regional Government, project ED431C 2017/67). The first author enjoyed a Contract from the FPI Program of the Spanish Ministry of Economy and Competitiveness. V.M. acknowledges the German Federal Ministry of Education and Research (Grant 02NUK053A) and the Initiative and Networking Fund of the Helmholtz Association (Grant SO-093) within the iCross project for partial funding. Partial financial support for the PSI contribution was provided by the National Cooperative for the Disposal of Radioactive Waste (Nagra), Wettingen, Switzerland. We thank the comments and corrections of the reviewers who contributed to greatly improve the paper. | es_ES |
dc.description.sponsorship | Xunta de Galicia; ED431C 2017/67 | es_ES |
dc.description.sponsorship | Alemaña. Bundesministerium für Bildung und Forschung; PTDC/MED-TOX/31162/2017 | es_ES |
dc.description.sponsorship | Alemaña. Helmholtz-Gemeinschaft; SO-093 | es_ES |
dc.language.iso | eng | es_ES |
dc.publisher | Springer | es_ES |
dc.relation | info:eu-repo/grantAgreement/MINECO/Plan Estatal de Investigación Científica y Técnica y de Innovación 2013-2016/CGL2016-78281/ES | es_ES |
dc.relation.uri | https://doi.org/10.1007/S10596-021-10050-5 | es_ES |
dc.rights | Atribución 3.0 España | es_ES |
dc.rights.uri | http://creativecommons.org/licenses/by/3.0/es/ | * |
dc.subject | Opalinus clay | es_ES |
dc.subject | Diffusion | es_ES |
dc.subject | Modeling | es_ES |
dc.subject | Benchmark | es_ES |
dc.subject | Cesium | es_ES |
dc.title | Modeling cesium migration through Opalinus clay: a benchmark for single- and multi-species sorption-diffusion models | es_ES |
dc.type | info:eu-repo/semantics/article | es_ES |
dc.rights.access | info:eu-repo/semantics/openAccess | es_ES |
UDC.journalTitle | Computational Geosciences | es_ES |
UDC.volume | 25 | es_ES |
UDC.issue | 4 | es_ES |
UDC.startPage | 1405 | es_ES |
UDC.endPage | 1436 | es_ES |
dc.identifier.doi | 10.1007/S10596-021-10050-5 |