Calcium silicate hydrates (C-S-H) may potentially exhibit extraordinary performance when modified by polymers, in which way the properties of cement-based materials can be improved from the genetic level. In this molecular dynamics simulation of the interaction between C-S-H and polyethylene glycol, apart from the H bond network connection in the interface, another chemical adsorption was observed. Calcium of C-S-H broke the C-O bond of PEG and formed a new Ca-C connection, which created a stronger link between the organic and inorganic phases.

中文翻译：

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水合硅酸钙/聚乙二醇复合材料的反应分子模拟

水合硅酸钙（CSH）在被聚合物改性后可能会表现出非凡的性能，从而可以从遗传水平改善水泥基材料的性能。在CSH和聚乙二醇之间相互作用的分子动力学模拟中，除了界面上的H键网络连接之外，还观察到另一种化学吸附。CSH钙破坏了PEG的CO键并形成了新的Ca-C连接，从而在有机相和无机相之间建立了更牢固的联系。