This modelling study investigated the physicochemical and kinetic controls of the mineralogical evolutions of cementitious materials subject to accelerated atmospheric carbonation. Simulations are based on published experimental results on two samples, a hydrated C₃S and a C-S-H paste, carbonated for 1 year at 55 % RH at 3 % CO₂. For the C₃S paste, reactive transport simulations accurately reproduced the mineralogical observations at different time intervals. However, for the C-S-H paste, in which significant cracks appeared, basis simulations could not reproduce the long-term carbonation extent. 2D simulations suggested that potential preexisting cracks could not fully explain the seemingly increasing carbonation rates. A final simulation using a simplified description of the crack appearance during carbonation gave the most accurate representation of the experimental results (degradation depths, mineralogy evolution). This demonstrates that, to accurately estimate the durability of cementitious materials subject to carbonation under dry conditions, coupled geochemical-mechanical descriptions are required.

这项建模研究调查了受加速大气碳化作用的胶结材料矿物学演化的物理化学和动力学控制。模拟基于已发表的两个样品的实验结果，即水合 C ₃ S 和 CSH 糊，在 55 % RH 和 3 % CO ₂下碳酸化 1 年。对于 C ₃S粘贴，反应输运模拟准确地再现了不同时间间隔的矿物学观察结果。然而，对于出现明显裂缝的 CSH 浆料，基础模拟无法再现长期碳化程度。二维模拟表明，潜在的预先存在的裂缝不能完全解释看似增加的碳化率。使用碳化过程中裂纹外观的简化描述的最终模拟给出了实验结果的最准确表示（降解深度、矿物学演化）。这表明，为了准确估计在干燥条件下经受碳化作用的胶结材料的耐久性，需要进行地球化学-力学耦合描述。