Dynamic measurements of partition coefficients using proton-transfer-reaction mass spectrometry (PTR–MS)

Abstract

Liquid–gas partition coefficients (HLC) of volatile organic compounds (VOCs) in water–air systems are determined using a novel dynamic approach by coupling a stripping cell directly to a proton-transfer-reaction mass spectrometer (PTR–MS). Two complementary set-ups are evaluated, one suited for determining HLCs of highly volatile compounds (<10M/atm), the second adapted for medium to low volatile compounds (∼10–1000M/atm). We validated the method using 2-butanone, investigated the temperature dependence of various HLCs and applied the stripping technique to a series of VOCs. Compared to alternative state-of-the-art techniques the present approach has the advantage of being simple, fast and less prone to artefacts. Furthermore, it allows to quantify volatile compounds in the headspace without calibration or addition of standards.