Development and Verification of an Integrated Physicochemical and Geochemical Modelling Framework for Performance Assessment of Cement-Based Materials
Development and Verification of an Integrated Physicochemical and Geochemical Modelling Framework for Performance Assessment of Cement-Based Materials
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用于水泥基材料性能评估的综合物理化学和地球化学建模框架的开发和验证
DOI：
10.3151/jact.12.91
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发表时间：
2014
影响因子：
2
通讯作者：
T. Ishida
中科院分区：
文献类型：
--
作者：
Y. Elakneswaran;T. Ishida
在这项研究中，一个多尺度模型称为DuCOM（耐久性混凝土模型），这是由东京大学混凝土实验室开发的，通过耦合地球化学程序PHREEQC扩展。耦合数值框架可以解决物理化学和地球化学过程，如水泥颗粒的水化，孔结构的形成，多组分传输，活性效应，水溶液和固体之间的热力学反应等，在胶凝材料，因此，它可以潜在地用于评估混凝土结构的长期耐久性。水泥水合物的组成，孔隙溶液化学，钙型材暴露在纯水中的水泥浆，和钙和硫型材浸泡在硫酸钠溶液中的水泥浆的模型预测定性和定量与从文献中获得的实验结果进行比较。最后，讨论了DuCOM-PHREEQC系统中各种过程和机制之间强耦合的重要性。
In this study, a multi-scale model called DuCOM (Durability COncrete Model), which is developed by the Concrete Laboratory at the University of Tokyo, is extended by coupling the geochemical code PHREEQC. The coupled numerical framework can address physicochemical and geochemical processes such as the hydration of cement particles, pore structure formation, multispecies transport, activity effect, thermodynamic reaction between aqueous solution and solids, etc. in cementitious materials, and therefore, it can potentially be used to assess the long-term durability of concrete structures. The model prediction for the composition of cement hydrates, pore solution chemistry, calcium profiles for the cement paste exposed in pure water, and calcium and sulphur profiles for the cement paste immersed in the sodium sulphate solution are qualitatively and quantitatively compared with experimental results obtained from literature. Finally, the importance of the strong coupling among various processes and mechanisms in the DuCOM-PHREEQC system is discussed.
影响因子：
11.4
作者：
Elakneswaran, Y.;Iwasa, A.;Kurumisawa, K.
通讯作者：
Kurumisawa, K.