An empirical investigation and computational modeling of volatile organic compound (VOCs) elimination from aqueous solutions by means of Pervaporation

The present study harnessed a commercially available polydimethylsiloxane (PDMSTM4060) membrane designed for the selective separation of soluble benzene (C6H6) and toluene (C7H8) compounds from an aqueous solution employing pervaporation (PV). Two distinct mathematical models, namely the universal quasi-chemical (UNIQUAC) model and the conventional driving force model, were formulated to replicate the intricate transport mechanisms of both organic solvent and water across these membranes. These models were instrumental in projecting the membrane's performance across diverse operational scenarios. The anticipated results were rigorously compared with experimental data to validate the projected outcomes for non-ideal volatile organic compounds (VOCs)-water systems within the membrane. Correlations pertaining to diffusivity were derived from the model and experimental pervaporation data. Utilizing the UNIQUAC theory and derived diffusivity correlations enabled the estimation of VOCs and water permeation through the commercial membrane. Notably, for the PDMSTM4060 membrane, the established diffusivity correlations for VOCs and water were contingent upon temperature variations and the activity of VOCs. The anticipated permeation flux of VOCs and water through the membranes was prognosticated using the mass transport model in conjunction with the established diffusivity correlations. The resultant findings showcased a robust concurrence between the predictive model and the empirical data, affirming the reliability of the proposed approach.