Surface Chemical Characterization of Ceramic Materials: Adsorption and Degradation of 3,6,9-Trioxadecanoic Acid on Nano-ZrO2

This paper deals with the specific interaction of the dispersant 3,6,9-trioxadecanoic acid (TODA) with nano-ZrO2 surfaces. Special interest was directed towards degradation behavior of the adsorbates and its influence on dispersant capabilities of TODA regarding stabilization of ethanolic nano-ZrO2 suspensions. ZrO2 adsorption sites and the adsorbates formed are examined by diffuse reflectance infrared Fourier transform spectroscopy, thermal analysis, H-1-, and C-13-cross polarization magic angle spinning solid-state nuclear magnetic resonance spectroscopy. H-1 as well as C-13-chemical shifts and the configurations of the corresponding adsorbed TODA species on zirconia sites are predicted by means of density functional theory quantum chemical calculations for supporting the interpretation of the experimental spectral data obtained. This work shows that combination of analytical and theoretical methods is an effective approach characterizing surface chemical properties of ceramic materials, determining sorption properties of organic process additives, investigating correspondent elementary and degradation reactions as well as clarifying cause-effect relationships in ceramic processes.