Simulation of conversion profiles inside a thick dental material photopolymerized in the presence of nanofillers

Abstract

In dental composites, the presence of inorganic fillers in the organic matrix leads to a light-scattering phenomenon that modifies the light intensity and, consequently, the ultimate polymerization yield. In this study, we aimed to characterize the impact of light scattering on the photopolymerization profiles inside thick materials. First, the photopolymerization kinetics of dental composites containing alumina or zirconia nanofillers were studied. An optimal formulation based on 75 wt% Bis-GMA, 25 wt% triethyleneglycoldimethacrylate and 1 wt% camphorquinone/dimethylaminoethylmethacrylate (1/1) was determined. The compatibility between the organic matrix and the fillers was enhanced by grafting a silane coupling agent onto the surfaces of the nanoparticles. This grafting improved the mechanical properties of the final composites without modifying the photopolymerization kinetics. The presence of nanofillers leads to a light-scattering phenomenon that influences the photoinitiated polymerization yield inside the composite. Thus, to characterize this phenomenon, a four-flux radiative transfer theory was applied to calculate the decrease in the light intensity crossing the dental composite. The conversion profiles were then calculated and compared with experimental ones. Photopolymerization of thin layers of a 75/25 (w/w) Bis-GMA/TEGDMA mixture exposed to a 465-nm monochromatic light radiation was first investigated. The final methacrylate conversion was measured by FTIR spectroscopy for different light intensities I0. Then, the variation of the light flux intensity φ inside thick samples of the previous mixture containing mineral nanofillers (Al2O3 or ZrO2) was calculated by means of a numerical model by taking into account the light scattering induced by the fillers. The obtained results permit the determination of the conversion profiles inside the loaded material and the maximal thickness that can be photopolymerized without consequent alteration of the polymerization yield and of the mechanical properties.