Multi-Component Continuum-Based Single Particle Model for Tri-Calcium Silicate Hydration

Recent modeling efforts illustrate the utility of single particle continuum-based models for the elucidation of complex hydration processes such as that of tri-calcium silicate, e.g. alite, the major constituent of ordinary portland cement [1].   The current work demonstrates a single particle modeling with rigorous multi-ionic transport and particle proximity and volume filling effects based on ensemble averaged methods.  An Avramian based representative volume concept is thus used to introduce the influence of neighboring particles. The model also includes multiple mechanisms; nucleation and growth, surface area reduction, and a two-step densification process [1, 2].  Such is able to explain observed hydration behaviors including dissolution, induction, acceleration, and deceleration. 

References:

1. J. J. Biernacki and T. Xie “An Advanced Single Particle Model for C₃S and Alite Hydration”, J. Am. Ceram. Soc., (2011).
2. S. Bishnoi and K. L. Scrivener “Studying nucleation and growth kinetics of alite hydration using ,” Cem. Concr. Res., 39 849-860 (2009).