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Article Dans Une Revue Cement and Concrete Research Année : 2023

Molecular simulations of premelted films between C-S-H and ice: Implication for cryo-suction in cement-based materials

Xinping Zhu
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Laurent Brochard
Zhengwu Jiang
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Matthieu Vandamme

Résumé

The premelted films between cement and ice observed at freezing temperatures play a role in the freeze-thaw damage of cement-based materials, as they play a role in cryo-suction. However, their properties are poorly understood. In this work, we unveil the dynamics and local structure of the premelted film using molecular simulations. Combining those results with a thermodynamic analytical derivation, we obtain a characteristic time of the cryo-suction process, which depends on temperature, the transport properties and thickness of the premelted film, and the pore geometry. Our calculations show that, down to about 230 K, cryo-suction occurs relatively fast at the pore scale and the hypothesis of local thermodynamic equilibrium used in most poromechanical models of freezing of cement-based materials is reasonable. A fragile-to-strong transition of water in the premelted films is witnessed at about 230 K. Below this temperature, the significant deceleration of water dynamics makes the cryo-suction significantly slower.
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Dates et versions

hal-04233404 , version 1 (09-10-2023)

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Xinping Zhu, Laurent Brochard, Zhengwu Jiang, Matthieu Vandamme. Molecular simulations of premelted films between C-S-H and ice: Implication for cryo-suction in cement-based materials. Cement and Concrete Research, 2023, 174, pp.107341. ⟨10.1016/j.cemconres.2023.107341⟩. ⟨hal-04233404⟩
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