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

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

Chen, J. (TU Delft Materials and Environment)
Martin, Pablo (Tecnalia, Basque Research and Technology Alliance (BRTA))
Xu, Z. (TU Delft Materials and Environment)
Manzano, Hegoi (University of the Basque Country)
Dolado, Jorge S. (Centro Mixto CSIC-UPV/EHU; Donostia International Physics Center)
Ye, G. (TU Delft Materials and Environment)

2021

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.

Cement hydration
Diffusion boundary layer
Dissolution simulation
Lattice Boltzmann method
Monte Carlo simulation

http://resolver.tudelft.nl/uuid:32833a6c-17c0-499a-b25e-bdcc29506fee

https://doi.org/10.1016/j.cemconres.2021.106377

0008-8846

Cement and Concrete Research, 142

Institutional Repository

journal article

© 2021 J. Chen, Pablo Martin, Z. Xu, Hegoi Manzano, Jorge S. Dolado, G. Ye