The inhibiting effect and mechanisms of smart polymers on the transport of fluids throughout nano-channels

Abstract

The transport of ions throughout the nano-channels is vital to the performance of porous materials. Here, a novel smart polymer with both hydrophilic and hydrophobic components was designed by molecular dynamics to regulate the capillary penetration process in cement-based materials, which determines the overall durability. The polymer structure owns carboxyl groups at one end, which are strongly attracted by the surface of a cementitious matrix due to the high polarity, as well as several alkyl groups. The polymer chain acts like a unilateral gate, which is open (lie on the matrix surface) when the nano-pore is anhydrous. However, it can be closed rapidly (stand upright, vertical to the matrix), utilizing the hydrophobic groups to maximize the transport inhibiting effect once in contact with the advancing fluids. Furthermore, a fluid transport inhibitor was fabricated based on the above mechanisms and added to the concrete mixtures. The experimental results indicate after the incorporation of this inhibitor, the water adsorption amount and chloride ion migration rate of concrete experience a huge decrease, indicating a substantial enhancement in the durability of samples. The surface interactions interpreted here may also shed new light on the understandings of smart polymers and their applications onto various matrixes.