| Abstract |
When trying to reduce the paste content in concrete mixtures for economic reasons, the impact of poor rheology control becomes more prominent. One underlying cause is the incomplete knowledge about force interactions between cement particles originating at the molecular scale. The molecular dynamics simulations presented in this work are conducted with the objective of obtaining a high-resolution picture of the in-plane structure and dynamics of electrolytic solutions confined between two cement clinker surfaces. It was found how the crystalline composition of the solids (i.e., Alite, Belite, Aluminate) impacts the molecular arrangement of the liquid phase and how this in turn affects the magnitude and sign of the forces between the studied surfaces. The differences in peak intensities and locations were explained by the surface-dependent equilibrium between ion correlation, electrostatic repulsive, and at small separations, solvation forces. |
