This study established a reactive transport model (RTM) for saturated cement-based materials based on multi-ionic transport through an uncharged, ‘free water’ and charged, ‘the electrical double layer’ coupled with a chemical equilibrium model for interaction between pore solution and solid phase. A set of modified Poisson-Nernst-Planck equations, including the effect of temperature, pore solution property, and pore structure changes, have been introduced for multi-ionic transport. A comprehensive method has been illustrated for determining the diffusion coefficient at infinite dilution of the aqueous species present in the pore solution in a cementitious material. Numerical predictions were compared to experimental data to demonstrate the applicability of the RTM. For mortar specimens exposed to NaCl solution and seawater, numerical predictions agree well with experimentally determined Portlandite and carbonate in the phase assemblage, elemental distribution such as chloride, sodium, potassium, magnesium, and sulfur adjusting the initial tortuosity factor.

本研究建立了饱和水泥基材料的反应传输模型 (RTM)，该模型基于多离子传输通过不带电的“自由水”和带电的“双电层”以及孔隙溶液之间相互作用的化学平衡模型。和固相。已经为多离子传输引入了一组改进的 Poisson-Nernst-Planck 方程，包括温度、孔溶液性质和孔结构变化的影响。已经说明了一种综合方法，用于确定无限稀释存在于水泥材料中的孔隙溶液中的水性物质的扩散系数。将数值预测与实验数据进行比较，以证明 RTM 的适用性。对于暴露于 NaCl 溶液和海水的砂浆试样，