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EVA/KH560 协同改性再生混凝土力学性能的试验与分子动力学模拟。

EVA/KH560 synergistically modified recycled concrete mechanical properties - Experiment and molecular dynamics simulations.

机构信息

Henan University of Technology, College Civil Engineering, Zhengzhou, 450001, Henan, China.

出版信息

J Mol Graph Model. 2024 Jan;126:108641. doi: 10.1016/j.jmgm.2023.108641. Epub 2023 Sep 28.

Abstract

Considering the long-term working performance of recycled concrete (RC) members, there is a need to compensate for the performance deficiencies of RC. In this study, the mechanical properties of RC were improved by two different modification methods, and the reinforcement effects of RC modified by Silane Coupling Agent (KH560)/Ethylene vinyl acetate copolymer (EVA) and RC modified by EVA alone were compared and analyzed. The effects of separate modification and co-modification on RC were analyzed through multi-scale methods in terms of macro-mechanical properties, microstructure, chemical composition and molecular mechanism, respectively. The results of macroscopic mechanical experiments showed that the compressive and shear strength of EVA/KH560 synergistic modification is higher than that of EVA alone. Scanning Electron Microscope (SEM) data showed that the surface density of the old and new concrete interfaces was higher under EVA/KH560 co-modification. X-ray diffraction (XRD) and Fourier Transform Infrared (FTIR) data showed that more cement gel will be produced under EVA/KH560 synergistic modification. Molecular dynamics (MD) simulations show that EVA single modification can produce hydrogen and ionic bonds at the interface of old and new concrete, while EVA/KH560 synergistic modification not only produces them, but also forms a stable Si-O-Si chemical bond.

摘要

考虑到再生混凝土 (RC) 构件的长期工作性能,需要补偿 RC 的性能缺陷。本研究采用两种不同的改性方法提高 RC 的力学性能,对比分析了硅烷偶联剂 (KH560)/乙烯-醋酸乙烯共聚物 (EVA) 改性 RC 和单独 EVA 改性 RC 的增强效果。通过多尺度方法,从宏观力学性能、微观结构、化学成分和分子机理等方面分析了单独改性和共改性对 RC 的影响。宏观力学实验结果表明,EVA/KH560 协同改性的抗压和抗剪强度高于单独 EVA 改性。扫描电子显微镜 (SEM) 数据表明,EVA/KH560 共改性下新旧混凝土界面的表面密度更高。X 射线衍射 (XRD) 和傅里叶变换红外 (FTIR) 数据表明,EVA/KH560 协同改性下会产生更多的水泥凝胶。分子动力学 (MD) 模拟表明,EVA 单独改性可以在新旧混凝土界面产生氢键和离子键,而 EVA/KH560 协同改性不仅可以产生这些键,还可以形成稳定的 Si-O-Si 化学键。

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