Interaction energies of ZnO in acrylic polymer lattices

Water-based acrylic polymers are frequently used as binders in ceramic mate rials that contain ZnO as a major component. Thin flexible ceramic films us ed in semiconductor elements are prepared from ceramic powder, polymer bind er, dispergant and plasticizer. In the present work, the chemical reaction of acrylic acid, a part of the polymer, and ceramic powder (ZnO) has been s tudied by semi-empirical calculations and Fourier transform infrared spectr oscopy (FTIR). Systematic evaluation of model structures using varying cont ents of acrylic acid showed that ZnO adhesion increases as the carboxylate content in the polymer system increases. Interaction energy surfaces provid e a quantitative insight into the spatial distribution of ZnO particles in various model structures. These results are also in good agreement with our infrared spectroscopy measurements.