Mohammadreza Izadifar_Multiscale Modelling of Cement-Based Materials II_Figure1

Mohammadreza Izadifar_Multiscale Modelling of Cement-Based Materials II_Figure1

Caption
Figure 1: (a) Formation of Si-O-Si and Si-O-Al bonds which respect the β angle and tetrahedral geometrical constraints. (b) The final status of the simulation with particles, clusters, and pore distributions arrangements. (c) Activation energy (EB – EA) and optimized geometric structures of the hydrolysis dissolution reaction: reactant (A), transition state (B) and products (C).

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