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文章主要从计算化学的角度对现代混凝土材料相关的研究进展进行了综述。首先介绍了混凝土在纳米尺度上的微观组成与结构,以及氢键对其性能的影响;然后讨论了粉煤灰等高铝矿渣的掺杂对混凝土材料结构与性能的影响;最后对新型的混凝土材料的碳化过程和碳化机理进行了比较分析。混凝土材料低尺度结构的总结,为现代混凝土材料的工程技术提供了深入的认识,具有一定的现实指导意义。
The article mainly reviews the research progress of modern concrete materials from the perspective of computational chemistry. Firstly, the microstructure and structure of concrete at nanometer scale and the effect of hydrogen bond on its performance were introduced. Then the influence of the doping of high alumina slag such as fly ash on the structure and properties of concrete was discussed. Finally, Material carbonization process and carbonation mechanism were compared. The summary of the low-scale concrete structures provides a deep understanding of the engineering technology of modern concrete materials and has some realistic guiding significance.