Abstract
Silica nanoparticles are used as additives to organic coatings to modify their properties. The interface of inorganic nanoparticles with an organic matrix can be a preferred location for accumulation of water. Surface treatment of nanoparticles with 3-glycidoxypropyltrimethylsilane (silane) is one way to reduce the water accumulation. In this work, using atomistic simulations (MD), we studied the effects of silane treatment on accumulation of water at the interface of nanoparticles. Three different epoxy phases and two methods of deposition of water were simulated. Water molecules were studied at two locations: (i) the interface of nanoparticles, and (ii) in the matrix of coatings. Additionally, the changes in the organic matrix due to surface treatment of nanoparticles were studied. The simulations show how silane treatment affects the interactions of water with nanoparticles in different epoxies, and also how silane treatment reduces the water accumulation in an organic matrix with nanoparticles.
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