Title | A reaction model for cement solidification: Evolving the C–S–H packing density at the micrometer-scale |
Publication Type | Journal Article |
Year of Publication | 2018 |
Authors | Petersen T, Valdenaire P-L, Pellenq RJean-Marc, Ulm F-J |
Journal | Journal of the Mechanics and Physics of Solids |
Volume | 118 |
Pagination | 58 - 73 |
Date Published | Sep-2018 |
ISSN | 00225096 |
Abstract | Cement paste is a multiphase material of complex chemistry, of which 60% by volume is typically composed of calcium–silicate–hydrates (C–S–H), the phase that lends the material its strength and stiffness. Moreover, it has been shown that the C–S–H phase is a dispersion of nanometer-sized particles that are characterized by an attractive–repulsive potential and densify in course of the hydration reaction. Herein, we model the nucleation and growth of the nanoparticles as a continuous density field subject to a reaction equation. Using this phase-field approach, we aim to reduce the parameter space present in similar hydration models and create a vehicle to upscale mechanical information from the nanometer-scale to the micrometer-scale. Despite the apparent simplification of the physics at play, we readily reproduce the cement paste reaction kinetics and microtexture—functions of temperature, coarseness of the calcium–silicate source particles, and initial water-to-cement ratio—, and vet them against experimental observations. Presenting results for two-dimensional simulations, we achieve excellent agreement with measurements of hydration heat curves, pore-chord-length and solid-chord-length density functions, distributions of low- and high-density C–S–H products, and elasticity. |
URL | https://www-sciencedirect-com.libproxy.mit.edu/science/article/pii/S0022509617308876 |
DOI | 10.1016/j.jmps.2018.05.010 |
Short Title | Journal of the Mechanics and Physics of Solids |
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