RT Journal Article
T1 A dissolution model of alite coupling surface topography and ions transport under different hydrodynamics conditions at microscale
A1 Chen, Jiayi
A1 Martin, Pablo
A1 Xu, Zhiyuan
A1 Manzano, Hegoi
A1 Dolado, Jorge S.
A1 Ye, Guang
AB 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.
SN 0008-8846
YR 2021
FD 2021-04
LK https://hdl.handle.net/11556/3171
UL https://hdl.handle.net/11556/3171
LA eng
NO 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
NO Publisher Copyright: © 2021 Elsevier Ltd
NO The authors would like to thank the China Scholarship Council (CSC) for the financial support for this work.
DS TECNALIA Publications
RD 1 ago 2024