Interactions between bioactive ferulic acid and fumed silica by UV–vis spectroscopy, FT-IR, TPD MS investigation and quantum chemical methods

Interaction between ferulic acid and silica results in the formation of different energetically favorable surface complexes, which ratio depends on the way of ferulic acid loading (adsorption, mixing or co-milling). The interactions of bioactive ferulic acid with fumed silica were studied by UV/vis spectroscopy, FT-IR, TPD MS techniques and quantum chemical methods. It was found that surface complexes may form through phenol or carboxyl group of ferulic acid depending on its coverage value. The structure of surface complexes and mechanisms of the ferulic acid chemosorption on the silica surface are discussed. The kinetic parameters of the chemical reactions on silica surface are calculated. The mechanisms of thermal transformations of the ferulic chemosorbed surface complexes are proposed.