Quantitative Structure-Activity Relationship Modeling of Biofiltration Removal

A model for predicting biofiltration efficiency is developed and evaluated in this study. This model, based on quantitative structure-activity relationships (QSARs), relates the biofiltration maximum removal capacity of a pollutant to its physicochemical intrinsic descriptors. After a preliminary experimental determination of biofilter removal, for 11 volatile organic compounds, collected data allowed calibration of the model parameters. A screening of different possible molecule describing parameters determined that three of them play a significant role in biofiltration: the Henry's law constant, the octanol-water partition coefficient, and the first-order connectivity index. The use of these parameters for evaluating biofiltration removal by a QSAR modeling approach allowed good agreement between experimental and model values, while keeping an excellent statistical significance.