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- Title
PREDICTION OF GAS-PARTICLE PARTITIONING OF POLYCYCLIC AROMATIC HYDROCARBONS BASED ON M5' MODEL TREES.
- Authors
Radonić, Jelena R.; Ćulibrk, Dubravko R.; Vojinović Miloradov, Mirjana B.; Kukić, Branislav P.; Turk Sekulić, Maja M.
- Abstract
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 (cor relation 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.
- Subjects
PARTITION coefficient (Chemistry); POLYCYCLIC aromatic hydrocarbons; EMISSIONS (Air pollution); ADSORPTION (Chemistry); STATISTICAL correlation; INDUSTRIAL sites
- Publication
Thermal Science, 2012, Vol 16, Issue 2, p551
- ISSN
0354-9836
- Publication type
Article
- DOI
10.2298/TSCI1202551R