College of Materials Science and Engineering, Chongqing University, Chongqing 400045, China.
Institute of Structural Mechanics, Bauhaus Universitat-Weimar, Marienstr 15, D-99423 Weimar, Germany.
Molecules. 2019 Apr 16;24(8):1497. doi: 10.3390/molecules24081497.
Polyethylene is widely adopted in engineered cementitious composites to control the crack width. A clearer knowledge of the PE/concrete interfacial properties is important in developing engineered cementitious composites, which can lead to a limited crack width. Tensile failure and adhesion properties of the amorphous polyethylene/silica (PE/S) interface are investigated by molecular dynamics to interpret the PE/concrete interface. The influence of the PE chain length, the PE chain number and coupling agents applied on silica surface on the interfacial adhesion is studied. An increase of the adhesion strength of the modified silica surface by coupling agents compared with the unmodified silica is found. The failure process, density profile and potential energy evolutions of the PE/S interface are studied. The thermodynamic work of adhesion that quantifies the interfacial adhesion of the PE/S interface is evaluated. The present study helps to understand the interfacial adhesion behavior between ECC and PE, and is expected to contribute to restricting the crack width.
聚乙烯被广泛应用于工程水泥基复合材料中以控制裂缝宽度。更清楚地了解聚乙烯/混凝土界面性能对于开发工程水泥基复合材料很重要，这可以导致有限的裂缝宽度。通过分子动力学研究非晶态聚乙烯/二氧化硅（PE/S）界面的拉伸破坏和粘附性能，以解释聚乙烯/混凝土界面。研究了聚乙烯链长、聚乙烯链数和偶联剂在二氧化硅表面上的应用对界面粘附力的影响。发现偶联剂改性的二氧化硅表面的粘附强度比未改性的二氧化硅有所提高。研究了 PE/S 界面的破坏过程、密度分布和势能演化。评估了量化 PE/S 界面界面粘附的热力学粘附功。本研究有助于理解 ECC 和 PE 之间的界面粘附行为，并有望有助于限制裂缝宽度。
