Molecular-scale insights on structure-efficiency relationship of silane-based waterproofing agents

Surface treatments on concrete: an overview on organic, inorganic and nano-based coatings and an outlook about surface modification by rare-earth oxides

“…Their properties depend on the molecular structure: the larger the molecule of the alkyl group, the better the water repellency of the silane for the hydrophobic products. 166 Silane molecules are very small (1.0–1.5 nm) and can thus penetrate a highly dense concrete substrate of more than 5 mm. 167 Some silanes with alkoxy groups can polymerize during the application if they come in contact with water.…”

Acid Radical Tolerance of Silane Coatings on Calcium Silicate Hydrate Surfaces in Aggressive Environments: The Role of Nitrate/Sulfate Ratio

“…In recent years, molecular dynamics (MD) simulations have been increasingly utilized to investigate the nanoscale kinetic behavior of cement hydrates. − C–S–H is the principal ingredient of concrete materials, accounting for around 60% of cement hydrate, and it plays a critical role in determining the properties of concrete. The level of deterioration in C–S–H is frequently a significant indicator of underlying structural damage. − While MD techniques have been utilized to study the two-by-two coupling transport processes of different ionic compounds in C–S–H gels nanopores by Tu et al and the inhibitory behavior of three commonly used alkoxysilanes in the transport of aggressive ions and water in C–S–H nanopores by Hou et al, the nanoscale adsorption behavior of silanes and different species on concrete surfaces in complex salt solution environments is still not well-understood. To address this, we built a model of C–S–H/silane and used MD simulations to assess the impact of silane on the adsorption of various ions at the C–S–H interface in complex salt environments (NaNO 3 /Na 2 SO 4 ).…”