PMID: 17593730Jun 28, 2007

Alternative approaches for modeling gas-particle partitioning of semivolatile organic chemicals: model development and comparison

Environmental Science & Technology
Christian W GötzKonrad Hungerbühler


We present a novel model of gas-particle partitioning based on polyparameter linear free energy relationships (ppLFERs) that is capable of representing a broad range of aerosol properties. We apply the model to semivolatile organic chemicals including PCBs, DDT, and polar pesticides, and compare it to a widely adopted model based on the octanol-air partition coefficient (K(OA)). For nonpolar chemicals and cases where sorption to aerosols is dominated by absorption into organic matter, the two models are highly correlated and both are appropriate. Significant differences between the models are found for (a) polar chemicals and (b) aerosols with low organic matter content. The explicit description of polar interactions in the ppLFER approach implies stronger interactions between chemicals and aerosols than the K(OA)-based model, which describes polar interactions only implicitly and to a limited extent. Practical application of the ppLFER-based model to a wide range of chemicals is currently limited by data gaps in measured Abraham solvation parameters and uncertainties in estimation methods.


May 29, 2009·Environmental Science and Pollution Research International·Christian W GötzJuliane Hollender
Mar 7, 2013·Environmental Science and Pollution Research International·Zhen WangZiwei Yao
Jul 20, 2011·Environmental Science & Technology·Josep SanchísDamià Barceló
May 6, 2014·Environmental Science and Pollution Research International·G SangiorgiE Bolzacchini
Feb 27, 2014·The Science of the Total Environment·Ioannis LiagkouridisAnna Palm Cousins
Jan 24, 2016·Chemosphere·Anne HollanderDik van de Meent
Jan 22, 2010·The Science of the Total Environment·A PistocchiP Vizcaino
Dec 4, 2015·Environmental Science & Technology·Christine SteinlinKonrad Hungerbühler
Aug 19, 2007·Environmental Pollution·Rainer LohmannDerek Muir
Aug 21, 2007·Environmental Pollution·Philip N SmithKevin D Reynolds
May 6, 2016·Environmental Science and Pollution Research International·Benjamin A Musa BandoweKinfai Ho
Dec 2, 2016·Environmental Science and Pollution Research International·Xiaowei WuGan Zhang
Jun 27, 2009·Journal of Environmental Monitoring : JEM·Sanka N Atapattu, Colin F Poole
Jan 11, 2018·Environmental Science. Processes & Impacts·Antonio Di GuardoMartin Scheringer
Nov 11, 2016·Journal of Toxicology and Environmental Health. Part B, Critical Reviews·Marco VighiKeith R Solomon

Related Concepts

Organic Chemicals
Air Pollutants, Environmental
Physical Process of Vaporization
Polychlorinated Biphenyls
Aerosol Dose Form
Particulate Matter

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