Prediction of gas-particle partitioning of PAHs based on M5’ model trees

• Published in: Thermal science 2011-01, Vol.15 (1), p.105
• Main Authors: Radonić, Jelena, Ćulibrk, Dubravko, Miloradov, Mirjana Vojinović, Maja Turk Sekulić, Kukić, Branislav
• Format: Article
• Language: English
• Subjects: Aromatic compounds; Atmospheric models; Chemical partition; Correlation coefficients; Emission analysis; Organic compounds; Partitioning; Polycyclic aromatic hydrocarbons; Vapor phases
• ISSN: 0354-9836; 2334-7163
• DOI: 10.2298/TSCI1202551R

During the thermal combustion processes of carbon-enriched organic compounds, emission of polycyclic aromatic hydrocarbons into ambient air occurs. Previous studies of atmospheric distribution of polycyclic aromatic hydrocarbons showed low correlation between the experimental values and Junge-Pankow theoretical adsorption model, suggesting that other approaches should be used to describe the partitioning phenomena. The paper evaluates the applicability of multivariate piece-wise-linear M5' model-tree models to the problem of gas-particle partitioning. Experimental values of particle-associated fraction, obtained for 129 ambient air samples collected at 24 background, urban, and industrial sites, were compared to the prediction results obtained using M5' and the Junge-Pankow model. The M5' approach proposed and models learned are able to achieve good correlation (correlation coefficient >0.9) for some low-molecular-weight compounds, when the target is to predict the concentration of gas phase based on the particle-associated phase. When converted to particle-bound fraction values, the results, for selected compounds, are superior to those obtained by Junge-Pankow model by several orders of magnitude, in terms of the prediction error. This article has been retracted. Link to the retraction 10.2298/TSCI121205224E