TY - JOUR
T1 - Water dynamics in calcium silicate hydrates probed by inelastic neutron scattering and molecular dynamics simulations
AU - Zhakiyeva, Zhanar
AU - Magnin, Valérie
AU - Poulain, Agnieszka
AU - Campillo, Sylvain
AU - Asta, María P.
AU - Besselink, Rogier
AU - Gaboreau, Stéphane
AU - Claret, Francis
AU - Grangeon, Sylvain
AU - Rudic, Svemir
AU - Rols, Stéphane
AU - Jiménez-Ruiz, Mónica
AU - Bourg, Ian C.
AU - Van Driessche, Alexander E.S.
AU - Cuello, Gabriel J.
AU - Fernández-Martínez, Alejandro
N1 - Publisher Copyright:
© 2024
PY - 2024/10
Y1 - 2024/10
N2 - 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.
AB - 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.
KW - C-(A)-S-H
KW - Inelastic neutron scattering
KW - Interfacial water
KW - Low CO cements
KW - Molecular dynamics simulations
KW - Nanoporous vs bulk-like water
KW - Water dynamics
UR - https://www.scopus.com/pages/publications/85199910499
UR - https://www.scopus.com/pages/publications/85199910499#tab=citedBy
U2 - 10.1016/j.cemconres.2024.107616
DO - 10.1016/j.cemconres.2024.107616
M3 - Article
AN - SCOPUS:85199910499
SN - 0008-8846
VL - 184
JO - Cement and Concrete Research
JF - Cement and Concrete Research
M1 - 107616
ER -