Water dynamics in calcium silicate hydrates probed by inelastic neutron scattering and molecular dynamics simulations - BRGM - Bureau de recherches géologiques et minières
Article Dans Une Revue Cement and Concrete Research Année : 2024

Water dynamics in calcium silicate hydrates probed by inelastic neutron scattering and molecular dynamics simulations

Ian Bourg
  • Fonction : Auteur

Résumé

Calcium-silicate-hydrate (C-S-H) is a disordered, nanocrystalline material, acting as a primary binding phase in Portland cement. C-S-H and C-A-S-H (an Al-bearing substitute present in low-CO2 cement) contain thin films of water on solid surfaces and inside nanopores. Water controls multiple chemical and mechanical properties of C-S-H, including drying shrinkage, ion transport, creep, and thermal behavior. Therefore, obtaining a fundamental understanding of its properties is essential. We applied a combination of inelastic incoherent neutron scattering and molecular dynamics simulations to unravel water dynamics in synthetic C-(A)-S-H conditioned at five hydration states (from drier to more hydrated) and with three Ca/Si ratios (0.9, 1, and 1.3). Our results converge towards a picture where the evolution from thin layers of interfacial water to bulk-like capillary water is dampened by the structure of C-(A)-S-H. In particular, the hydrophilic Ca2+ sites organize the distribution of interfacial C-(A)-S-H water.
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Dates et versions

hal-04673709 , version 1 (20-08-2024)

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Zhanar Zhakiyeva, Valérie Magnin, Agnieszka Poulain, Sylvain Campillo, María Asta, et al.. Water dynamics in calcium silicate hydrates probed by inelastic neutron scattering and molecular dynamics simulations. Cement and Concrete Research, 2024, 184, pp.107616. ⟨10.1016/j.cemconres.2024.107616⟩. ⟨hal-04673709⟩
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