Pore-scale mechanisms of capillary imbibition in cement-based materials revealed by direct numerical simulations in a realistic FIB-SEM microstructure

Abstract

Moisture transport in cement-based materials involves transient multiphase flow through highly irregular pore networks, where evolving air--water interfaces strongly influence liquid invasion and gas displacement. Here, pore-resolved, image-based direct numerical simulations (DNS) are used to investigate spontaneous imbibition in a FIB--SEM-reconstructed cementitious microstructure, resolving air--water interface dynamics at nanometre-to-micrometre spatial scales and nanosecond-to-microsecond timescales. As these dynamics remain inaccessible to direct experimental observation at such scales, the simulations provide, to the best of our knowledge, the first direct view of transient imbibition within the capillary porosity of a realistic cementitious microstructure. The three-dimensional simulations reveal highly heterogeneous wetting-front propagation, continuous interface reconfiguration, and progressive air entrapment, showing that local dynamics depend on evolving interface curvature and capillary-pressure fields rather than on characteristic pore size alone. Significant air entrapment develops even within the capillary pores and under perfectly water-wetting conditions, progressively reducing the saturation rate, while the capillary pressure of trapped-air clusters depends strongly on local interface geometry rather than gas volume alone. Controlled two-dimensional analyses show that the balance between capillary, viscous, inertial, and gravitational effects is strongly scale-dependent. Comparison with the three-dimensional simulations highlights the importance of out-of-plane interface curvature and pore-network connectivity. The framework also resolves moisture conditions at the steel--concrete interface, illustrating its potential for corrosion-relevant pore-scale analysis.