The influence of the molecular chain length of PVA on the toughening mechanism of calcium silicate hydrates.

In recent years, polymers have been demonstrated to effectively toughen cementitious materials. However, the mechanism of interaction between the polymers and C-S-H at the nanoscale remains unclear, and the quantitative impact of the polymer chain length on toughening effectiveness is lacking in research. This study employs molecular dynamics techniques to examine the impact of the polyvinyl alcohol (PVA) chain length on the tensile performance and toughening mechanism of C-S-H.

A toughening mechanism of the strain rate-optimal chain length on polymer-modified calcium silicate hydrates (CSH).

Polymers are known to effectively improve the toughness of inorganic matrices; however, the mechanism at the molecular level is still unclear. In this study, we used molecular dynamics simulations to unravel the effects and mechanisms of different molecular chain lengths of polyacrylic acid (PAA) on toughening calcium silicate hydrate (CSH), which is the basic building block of cement-based materials. Our simulation results indicate that an optimal molecular chain length of polymers contributes to the largest toughening effect on the matrix, leading to up to 60.