Long-chain alkyl groups enhance the water-repellent properties of short-chain perfluoroalkyl compounds: An experimental and computer simulation study

The polymers composed of long-chain stearyl acrylate (SA) and short-chain (perfluorohexyl) ethyl methacrylate (FA) were synthesized using the emulsion polymerization technique. Cotton fabric was then coated with these polymers to act as a water-repellent agent. Surface wetting properties of the coated cotton fabric were tested. In a peculiar manner, the water repellency of the coatings did not improve with the increase of the perfluorohexyl group. Therefore, the polymer's crystallization behaviors and melting temperature were assessed through differential scanning calorimetry (DSC) and computer simulation. A computer simulation was employed to analyze the density, surface energy, element distribution, chain arrangement, bond order parameter, and surface images of the polymer film. The results suggest that water repellency is not directly related to the film's surface energy but rather depends on the element proportion, bond angle distribution, and dihedral angle torsion energy. The key points will serve as invaluable indicators for the development of a highly efficient water-repellent coating with a low proportion of fluorine and provide a more sustainable solution for water-repellent applications.