Considering the long-term working performance of the waste concrete building elements, this study used 3-Glycidoxypropyltrimethoxysilane (KH560) and Polyvinyl alcohol (PVA) fibers to modify the recycled concrete (RC) with the aim of improving the mechanical and long-term properties of RC. In this study, the mechanical properties of recycled coarse aggregate (RCA) concrete before and after modification were systematically investigated. The macroscale results showed that KH560 compensates for the reduced compressive strength of RCA concrete due to PVA fibers. The synergistic effect of PVA and KH560 substantially increased the flexural and shear strength of RCA concrete, with a maximum increase of 22.6% in flexural strength when the RCA substitution rate was 80%. The results of three microscopic tests (SEM / FTIR/XRD) revealed that KH560 increased the content of cement gel, which then optimized the internal pore structure of RCA concrete. The chemical reaction between KH560 and cement produced SiKH560-OKH560-SiCSH. At the nano-scale, computational analysis methods in atomistic modeling techniques were employed to model PVA fibers, cement and KH560, and the dynamic and static simulation results of the model were combined to discover a consistent SiKH560-OKH560-SiCSH chemical bond between KH560/CSH and both old and new CSH, Additionally, the findings revealed the coexistence hydrogen and ionic bonds. KH560 improves the interaction between PVA fibers and cement by forming numerous hydrogen bonds, and resolves the weak interface between the new and old cement through stable chemical bonds.
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