Abstract
ABSTRACT This study investigates the penetration characteristics of water and temperature effect, aiming to understand the mechanism of water intrusion and provide a basis for studying the transport of aggressive ions in concrete. Molecular dynamics simulations were employed to simulate the capillary motion of water in hydrated calcium silicate (C–S-H) slit. The effects of temperature on water density, chemical bond of atomic pairs, flow velocity distribution, and slip length during the flow process were analysed, and the flow equations were modified. It was found that the density of water in the region of 0.55 nm from the interior wall of the C–S-H slit manifests significant inhomogeneity. The stronger the chemical bond of atomic pairs, the less the residence time is influenced by temperature. Increasing the temperature from 280 K to 360 K results in a significant increase in the cross-sectional flow velocity within the nanoslit, while the changes in the size of the inhomogeneous region and the slip length are insignificant. The modified Bosanquet equation is suitable for describing the second stage of nanocapillary flow, while the Lucas-Washburn equation is suitable for describing the third stage.
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