evaluation of vapor pressure estimation methods for use in simulating the dynamic of atmospheric organic aerosols

evaluation of vapor pressure estimation methods for use in simulating the dynamic of atmospheric organic aerosols

;A. J. Komkoua Mbienda;C. Tchawoua;D. A. Vondou;F. Mkankam Kamga
organometallics 2013 Vol. 2013 pp. -
185
mbienda2013internationalevaluation

Abstract

The modified Mackay (mM), the Grain-Watson (GW), Myrdal and Yalkovsky (MY), Lee and Kesler (LK), and Ambrose-Walton (AW) methods for estimating vapor pressures () are tested against experimental data for a set of volatile organic compounds (VOC). required to determine gas-particle partitioning of such organic compounds is used as a parameter for simulating the dynamic of atmospheric aerosols. Here, we use the structure-property relationships of VOC to estimate . The accuracy of each of the aforementioned methods is also assessed for each class of compounds (hydrocarbons, monofunctionalized, difunctionalized, and tri- and more functionalized volatile organic species). It is found that the best method for each VOC depends on its functionality.

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175367
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10.1155/2013/612375
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