The Wetting Behavior of Water Droplets on Silane and Silane/GO-Modified Ettringite Surfaces: Insights into Molecular Dynamics Simulations

The use of rapid-hardening cementitious materials for the emergency repair critical infrastructure in coastal environments is becoming increasingly widespread, and concrete surface hydrophobic protection treatment equally necessary to improve durability both new old concrete. Among them, silane-based play an important role protection. Graphene oxide (GO)-modified silane can significantly performance coatings, but mechanism coatings modifying sulfoaluminate cement’s main hydration product ettringite (AFt) has not yet been explored. In this study, molecular dynamics simulations were conducted investigate wetting properties water droplets on AFt, isobutyltriethoxy (IBTS)-modified IBTS/GO-modified AFt. It was found that AFt substrate had good hydrophilicity, could wet interface through Ca-O ionic bonds H-bonds. IBTS coating initially impeded droplet wetting, adsorption stability poor under action, leading penetration dispersion surface. However, IBTS/GO restricted due stable GO strong hydrogen between GO. conclusion, selecting a suitable bridging material crucial improving cement materials.