Reactive transport modeling of acetic acid-induced degradation in portland cement paste

IF 10.9 1区工程技术 Q1 CONSTRUCTION & BUILDING TECHNOLOGY

Cement and Concrete Research Pub Date : 2024-11-08 DOI:10.1016/j.cemconres.2024.107704

Maximilian Löher , Neven Ukrainczyk , Andreas Bogner , Astrid Hirsch , Frank Dehn , Eduardus Koenders

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Abstract

A reactive transport model was employed to investigate the influence of multiple hydrate phases during acetic acid attack on Portland cement paste. The simulation accounted for the dissolution of primary cement hydrates like Ettringite, Portlandite and C-S-H, along with the formation of silica gel products impacting diffusivity. The simulations primarily utilized independent material parameters, though the effective specific surface area of C-S-H phases required adjustment, indicating that only a small fraction is active in bulk paste compared to experimental values obtained from powders. Experiments involved exposing hardened cement paste samples to acetic acid (pH = 3) for durations ranging from 35 to 84 days. The model predicted changes in mineral assemblages, porosity, and pore solution chemistry versus degradation depth and time. Comparison of calculated Ca and Si-contents with experimentally obtained values from

μ

XRF analysis demonstrated good agreement of within 6% error, highlighting the importance of considering multiple minerals.

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波特兰水泥浆中醋酸诱导降解的反应迁移模型

采用反应迁移模型研究了醋酸侵蚀波特兰水泥浆时多种水合物相的影响。模拟考虑了 Ettringite、Portlandite 和 C-S-H 等初级水泥水合物的溶解，以及影响扩散性的硅凝胶产物的形成。模拟主要利用独立的材料参数，但 C-S-H 相的有效比表面积需要调整，这表明与从粉末中获得的实验值相比，散装浆料中只有一小部分具有活性。实验包括将硬化水泥浆样品暴露在醋酸（pH = 3）中 35 至 84 天。该模型预测了矿物组合、孔隙率和孔溶液化学性质随降解深度和时间的变化。将计算出的钙含量和硅含量与通过 μXRF 分析获得的实验值进行比较，结果表明两者的一致性很好，误差在 6% 以内，突出了考虑多种矿物的重要性。

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来源期刊

Cement and Concrete Research 工程技术-材料科学：综合

CiteScore

20.90

自引率

12.30%

发文量

318

审稿时长

53 days

期刊介绍： Cement and Concrete Research is dedicated to publishing top-notch research on the materials science and engineering of cement, cement composites, mortars, concrete, and related materials incorporating cement or other mineral binders. The journal prioritizes reporting significant findings in research on the properties and performance of cementitious materials. It also covers novel experimental techniques, the latest analytical and modeling methods, examination and diagnosis of actual cement and concrete structures, and the exploration of potential improvements in materials.