Mechanisms and Dynamics of Mineral Dissolution: A New Kinetic Monte Carlo Model: A New Kinetic Monte Carlo Model

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dc.contributor.authorMartin, Pablo
dc.contributor.authorManzano, Hegoi
dc.contributor.authorDolado, Jorge S.
dc.contributor.institutionTecnalia Research & Innovation
dc.date.issued2019-10-01
dc.descriptionPublisher Copyright: © 2019 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim
dc.description.abstractMineral dissolution is a fundamental process in geochemistry and materials science. It is controlled by the complex interplay of atomic level mechanisms like adatoms and terraces removal, pit opening, and spontaneous vacancy creation that can be gradually activated at different energies.en
dc.description.statusPeer reviewed
dc.format.extent1
dc.format.extent642258
dc.format.extent1218401
dc.identifier.citationMartin , P , Manzano , H & Dolado , J S 2019 , ' Mechanisms and Dynamics of Mineral Dissolution: A New Kinetic Monte Carlo Model : A New Kinetic Monte Carlo Model ' , Advanced Theory and Simulations , vol. 2 , no. 10 , 1900114 , pp. 1900114 . https://doi.org/10.1002/adts.201900114
dc.identifier.doi10.1002/adts.201900114
dc.identifier.issn2513-0390
dc.identifier.otherresearchoutputwizard: 11556/798
dc.identifier.urlhttp://www.scopus.com/inward/record.url?scp=85088923454&partnerID=8YFLogxK
dc.language.isoeng
dc.relation.ispartofAdvanced Theory and Simulations
dc.rightsinfo:eu-repo/semantics/openAccess
dc.subject.keywordsGeochemistry
dc.subject.keywordsMineral dissolution
dc.subject.keywordsMaterials science
dc.subject.keywordsGibbs free energy
dc.subject.keywordsKinetic Monte Carlo
dc.subject.keywordsTransition state theory
dc.subject.keywordsGeochemistry
dc.subject.keywordsMineral dissolution
dc.subject.keywordsMaterials science
dc.subject.keywordsGibbs free energy
dc.subject.keywordsKinetic Monte Carlo
dc.subject.keywordsTransition state theory
dc.subject.keywordsStatistics and Probability
dc.subject.keywordsNumerical Analysis
dc.subject.keywordsModeling and Simulation
dc.subject.keywordsMultidisciplinary
dc.subject.keywordsFunding Info
dc.subject.keywordsThis work was done under the umbrella of the Basque Country Initiative for Cement and Concrete Research (BASKRETE), and supported by the ELKARTEK and EMAITEK programs of the Basque Country Government. J.S.D. acknowledges the funding from the Spanish Ministry of Economy, Industry and Competitiveness (project Ref-201860I057) and the Spanish Ministry of Science, Innovation and Universities (project Ref RTI2018-098554- B-I00). P.M. acknowledges support from the Ph.D. scholarship Tecnalia Research & Innovation’s grant. All the simulations have been carried out at the high performance computing service of Basque Country i2basque.
dc.subject.keywordsThis work was done under the umbrella of the Basque Country Initiative for Cement and Concrete Research (BASKRETE), and supported by the ELKARTEK and EMAITEK programs of the Basque Country Government. J.S.D. acknowledges the funding from the Spanish Ministry of Economy, Industry and Competitiveness (project Ref-201860I057) and the Spanish Ministry of Science, Innovation and Universities (project Ref RTI2018-098554- B-I00). P.M. acknowledges support from the Ph.D. scholarship Tecnalia Research & Innovation’s grant. All the simulations have been carried out at the high performance computing service of Basque Country i2basque.
dc.titleMechanisms and Dynamics of Mineral Dissolution: A New Kinetic Monte Carlo Model: A New Kinetic Monte Carlo Modelen
dc.typejournal article
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