ArticleMaterials (Basel, Switzerland)2026
Investigation of Multi-Ion Transport Properties in Cement Paste Based on a Multi-Scale Phase Evolution Model.
Article in Materials (Basel, Switzerland), 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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5 authors.
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Abstract
Marine concrete structures are subjected to multiple aggressive ions that react with hydration products, driving dynamic phase evolution and altering ion transport pathways. This study develops a multi-scale lattice diffusion-reaction coupled framework grounded in a microstructural evolution model, incorporating a simplified analytical correction for the electrical double layer (EDL) effect. Validation against Poisson-Boltzmann numerical solutions across a pore size range of 1.5-50 nm confirms that the mean relative errors for monovalent, divalent, and trivalent ions remain within 10%. The phase evolution of cement paste under single-ion attack was simulated, and its impact on ion transport performance under multi-ion coupled ingress was systematically investigated. Under multi-ion attack, solid phases exhibit a highly ordered spatial zonation. Chloride ions completely displace monosulfate, forming a Friedel's salt-enriched zone. Meanwhile, directly penetrating external sulfate generates a pronounced surface ettringite peak, while sulfate released from monosulfate decomposition in the Friedel's salt zone induces secondary ettringite precipitation deeper within the material, producing a characteristic double-step ettringite distribution. A cracking criterion based on the critical capillary pore filling fraction captures the transition from pore filling to microcracking, yielding a three-zone profile for the relative diffusion coefficient. At 500 days of exposure, crystallization-induced microcracking triggers a more than 7-fold increase in surface relative diffusivity (w/c = 0.35). Furthermore, at 250 days, once cracking initiates, low water-to-cement ratio (w/c = 0.3) matrices display a higher relative diffusivity amplification factor of approximately 9, compared to approximately 6 for high water-to-cement ratio (w/c = 0.4) matrices. The established framework provides a quantitative tool for assessing the durability of concrete structures under complex chemical attack environments.
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