A dissolution model of alite coupling surface topography and ions transport under different hydrodynamics conditions at microscale

Simple item page
dc.contributor.authorChen, Jiayi
dc.contributor.authorMartin, Pablo
dc.contributor.authorXu, Zhiyuan
dc.contributor.authorManzano, Hegoi
dc.contributor.authorDolado, Jorge S.
dc.contributor.authorYe, Guang
dc.contributor.institutionTecnalia Research & Innovation
dc.date.accessioned2024-07-24T12:01:41Z
dc.date.available2024-07-24T12:01:41Z
dc.date.issued2021-04
dc.descriptionPublisher Copyright: © 2021 Elsevier Ltd
dc.description.abstractPortland cement is the most produced material in the world. The hydration process of cement consists of a group of complex chemical reactions. In order to investigate the mechanism of cement hydration, it is vital to study the hydration of each phase separately. An integrated model is proposed in this paper to simulate the dissolution of alite under different hydrodynamic conditions at microscale, coupling Kinetic Monte Carlo model (KMC), Lattice Boltzmann method (LBM) and diffusion boundary layer (DBL). The dissolution of alite is initialised with KMC. Two Multiple-relaxation-time (MRT) LB models are used to simulate the fluid flow and transport of ions, respectively. For solid-liquid interface, DBL is adapted to calculate the concentration gradient and dissolution flux. The model is validated with experiment from literature. The simulation results show good agreements with the results published in the literature.en
dc.description.sponsorshipThe authors would like to thank the China Scholarship Council (CSC) for the financial support for this work.
dc.description.statusPeer reviewed
dc.identifier.citationChen , J , Martin , P , Xu , Z , Manzano , H , Dolado , J S & Ye , G 2021 , ' A dissolution model of alite coupling surface topography and ions transport under different hydrodynamics conditions at microscale ' , Cement and Concrete Research , vol. 142 , 106377 . https://doi.org/10.1016/j.cemconres.2021.106377
dc.identifier.doi10.1016/j.cemconres.2021.106377
dc.identifier.issn0008-8846
dc.identifier.urihttps://hdl.handle.net/11556/3171
dc.identifier.urlhttp://www.scopus.com/inward/record.url?scp=85100244365&partnerID=8YFLogxK
dc.language.isoeng
dc.relation.ispartofCement and Concrete Research
dc.relation.projectIDChina Scholarship Council, CSC
dc.rightsinfo:eu-repo/semantics/openAccess
dc.subject.keywordsCement hydration
dc.subject.keywordsDiffusion boundary layer
dc.subject.keywordsDissolution simulation
dc.subject.keywordsLattice Boltzmann method
dc.subject.keywordsMonte Carlo simulation
dc.subject.keywordsBuilding and Construction
dc.subject.keywordsGeneral Materials Science
dc.titleA dissolution model of alite coupling surface topography and ions transport under different hydrodynamics conditions at microscaleen
dc.typejournal article
Files