| Title: | Predicting the Gas/Particle Distribution of SVOCs in the Indoor Environment Using Poly Parameter Linear Free Energy Relationships |
| Address: | "Fraunhofer WKI , Department of Material Analysis and Indoor Chemistry , Bienroder Weg 54E , 38108 Braunschweig , Germany. Department Analytical Environmental Chemistry , Helmholtz-Centre for Environmental Research - UFZ , Permoserstrasse 15 , 04318 Leipzig , Germany" |
| ISSN/ISBN: | 1520-5851 (Electronic) 0013-936X (Linking) |
| Abstract: | "Understanding the partitioning of semi volatile organic compounds (SVOCs) between gas phase and particle phase is essential for exposure analysis and risk assessment in the indoor environment. Numerous attempts have been made to calculate gas/particle partitioning coefficients K(ip). Single-parameter adsorption and absorption models, which relate K(ip) to the vapor pressure P(s) or the octanol/air distribution coefficient K(OA) are usually applied. In this work we use poly parameter Linear Free Energy Relationships (pp-LFER) to describe the partitioning behavior of 14 SVOCs with high relevance for the indoor environment. The pp-LFER concept is based on Abraham descriptors and considers interactions between molecule and particle by separate parameters. van der Waals interactions can be approximated by the logarithm of the hexadecane/air partitioning coefficient (log K(HdA) = L), which is a key parameter for the 14 polar but nonionizable organic esters being studied here. For many of the examined compounds experimentally determined L-values were not available and had to be measured using gas chromatography. It is shown that the pp-LFER method is a strong alternative to single-parameter approaches and gives reliable coefficients for gas/particle distribution in the indoor environment" |
| Keywords: | "Adsorption Chromatography, Gas Octanols Physical Phenomena *Volatile Organic Compounds;" |
| Notes: | "MedlineSalthammer, Tunga Goss, Kai-Uwe eng Research Support, Non-U.S. Gov't 2019/01/29 Environ Sci Technol. 2019 Mar 5; 53(5):2491-2499. doi: 10.1021/acs.est.8b06585. Epub 2019 Feb 12" |
