Sorption of a diverse set of organic chemical vapors onto XAD-2 resin: Measurement, prediction and implications for air sampling

The wide-spread use of styrene–divinylbenzene-copolymeric resin (XAD-2) in air sampling necessitates a quantitative understanding of its sorption characteristics for organic chemicals. Inverse Gas Chromatography (IGC) was used to measure the sorption of a diverse set of 52 organic chemicals to XAD-2 at temperatures between 40 °C and 100 °C and at relative humidities between 0 and 87%. Even though relative humidity has been shown to influence sorption to other sorbents, it did not significantly influence most chemicals’ sorption to XAD-2, indicating that water does not form a strong physical barrier to sorption on XAD-2 at high relative humidity. The resin–air partition coefficients (KXAD) determined by IGC and the enthalpies of sorption derived from them were regressed against solute descriptors to derive poly-parameter Linear Free Energy Relationships (ppLFERs) which allow the estimation of KXAD for chemicals which are not sufficiently volatile to be amenable to IGC and for temperatures outside the experimental range. KXAD values at 20 °C estimated for a set of 296 chemicals for which solute descriptors are available, including polychlorinated biphenyls, polycyclic aromatic hydrocarbons, and pesticides, indicate that for many of the substances commonly found in the atmosphere sorption is higher to XAD-2 than to poly-urethane foam, another popular air sampling sorbent.

Research highlights► Sorption of a diverse set of 52 organic chemicals to XAD-2 was determined as a function of temperature. ► Sorption of organic vapors to XAD-2 was not dependent on relative humidity. ► A newly derived poly-parameter Linear Free Energy Relationships allows the estimation of sorption onto XAD-2 for all neutral organic chemicals. ► XAD-2 resin has a notably higher capacity for organic vapors than poly-urethane foam.