水合硅酸钙（C-S-H）对纳米工程水泥复合材料的 分子动力学研究：综述

赵 元锡, 郑 玄南, 炳 辉宝
韩国土木工程系

摘要

随着研究工作的不断深入，C-S-H的复杂预测分子动力学（MD）模型已经开发出来，MD模拟的应用已
经从对 C-S-H的基本理解扩展到纳米工程水泥复合材料。本文全面回顾了水合硅酸钙（C-S-H）的MD模拟现状
及其在纳米工程水泥复合材料中的多种应用，包括碳基纳米材料（即碳纳米管、石墨烯、氧化石墨烯）、增强水泥、
水泥-聚合物纳米复合材料（用于 3D打印混凝土）和化学添加剂以提高对抗环境破坏的性能。总之，MD方法不仅
可以计算而且可以观察水泥水合物和水泥基体中其他成分的纳米级行为；因此，可以很好地理解 C-S-H结构的基本
性质及其与纳米粒子的相互作用。因此，MD使我们能够识别和评估新型先进纳米工程水泥复合材料的性能。

关键词

分子动力学；水合硅酸钙；纳米工程水泥材料；碳基纳米材料；水泥-聚合物纳米复合材料

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