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

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URI: https://hdl.handle.net/11556/3171
ISSN: 0008-8846
DOI: 10.1016/j.cemconres.2021.106377
Publication date
2021-04
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Abstract
Portland 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.
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Publisher Copyright: © 2021 Elsevier Ltd
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Cement hydration , Diffusion boundary layer , Dissolution simulation , Lattice Boltzmann method , Monte Carlo simulation , Building and Construction , General Materials Science
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journal article
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Chen , 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