Mechanistic insights into and modeling the effects of relative humidity on low-concentration VOCs adsorption on hyper-cross-linked polymeric resin by inverse gas chromatography

Abstract

Water vapor is very common in contaminated streams, which has a great influence on the adsorption of low-concentration volatile organic compounds (VOCs) due to the competition between water and VOCs. Understanding adsorption mechanisms and predicting adsorption of VOCs under different relative humidity (RH) are of great importance to design effective adsorption unit. In this study, we comprehensively investigated the effects of RH on the surface properties of hyper-cross-linked polymeric resin (HPR) and adsorption of 18 VOCs at low concentration on HPR under five levels of RH using inverse gas chromatography (IGC). Further, a promising RH-dependent poly-parameter linear free energy relationships (PP-LFERs) model was developed. It was found that water vapor caused the decrease of surface free energy (γst) of HPR due to the occupation of active sites by water molecules, resulting in the decrease of adsorption partition coefficients (K). Moreover, the γst could accurately quantify the effects of RH on the surface properties of HPR. Therefore, the RH-dependent PP-LFERs model was established by correlating RH and γst. The developed model overcame the limited predictive ability of existing models only under a specific RH level, and excellently predicted the lnK values of VOCs (R2 = 0.944, RMSEt = 0.36 and RMSEv = 0.47) under various RH.