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

Portland cement is the most produced material in world. The hydration process of consists a group complex chemical reactions. In order to investigate mechanism hydration, it vital study each phase separately. An integrated model proposed this paper simulate dissolution alite under different hydrodynamic conditions at microscale, coupling Kinetic Monte Carlo (KMC), Lattice Boltzmann method (LBM) and diffusion boundary layer (DBL). initialised with KMC. Two Multiple-relaxation-time (MRT) LB models are used fluid flow transport ions, respectively. For solid-liquid interface, DBL adapted calculate concentration gradient flux. validated experiment from literature. simulation results show good agreements published