Titania photocatalysts have great potential as remediators of air pollution. Although various aspects of photocatalyst synthesis, adsorption and photoactivity have been investigated, a thorough understanding of the particle surface behavior has not yet been fully realized. In order to learn more about the principles behind the surface behavior, we investigate the Hansen solubility/similarity parameters (HSPs) for analyzing and evaluating three photocatalysts synthesized by the gas phase method, solvothermal reaction and sol-gel method, respectively. A particle size distribution-based categorization scheme is introduced for characterizing each material's Hansen parameters based on its interaction with a list of selected probe liquids. The latter was deduced from particle size distributions assessed by analytical centrifugation. Subsequent comparison of the Hansen parameters of the investigated materials shows how HSPs can potentially be used as a model for predicting the pollutant adsorption behavior on the photocatalyst surface. This serves as a first step in heading towards an improved understanding of the particle behavior and translating it into a knowledge-based design, i.e., synthesis and hybridization of novel photocatalysts.