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J Air Waste Manag Assoc

Title:		Characterization of the reactivities of volatile organic compounds using a master chemical mechanism
Author(s):		Derwent RG; Jenkin ME; Saunders SM; Pilling MJ;
Address:		"Climate Research Division, Meteorological Office, Bracknell, United Kingdom. rgderwent@meto.gov.uk"
Journal Title:		J Air Waste Manag Assoc
Year:		2001
Volume:		51
Issue:		5
Page Number:		699 - 707
DOI:		10.1080/10473289.2001.10464297
ISSN/ISBN:		1096-2247 (Print) 1096-2247 (Linking)
Abstract:		"A comprehensive description of the ozone-forming potentials of 101 organic compounds has been constructed under North American urban 'averaged conditions' using a detailed master chemical mechanism and a simple air parcel trajectory model. This chemical mechanism describes the reactions of 3603 chemical species taking part in more than 10,500 chemical reactions. An index value has been calculated for each organic compound, which describes the increment in ozone concentrations found downwind of an urban area following the emission of a fixed increment in the mass emission of each organic compound. These indices, termed photochemical ozone creation potentials (POCPs), have been expressed on a scale relative to ethylene (ethene) = 100, and, a reactivity scale has been generated for alkanes, alkenes, and oxygenated and halogenated organic compounds. A high degree of correlation (R2 = 0.9) was found between these POCP values and the most widely accepted urban reactivity scale. While the reactivities of most of the 86 organic compounds compared fell within a consistent range, significant discrepancies were found for only 5 compounds. Single-day or multiday conditions appear to be important in establishing quantitative reactivity scales for the less reactive organic compounds"
Keywords:		"Ethylenes/chemistry *Models, Theoretical Organic Chemicals Oxidants, Photochemical/*chemistry Ozone/*chemistry Policy Making Public Policy Urban Population Volatilization;"
Notes:		"MedlineDerwent, R G Jenkin, M E Saunders, S M Pilling, M J eng Research Support, Non-U.S. Gov't 2001/05/18 J Air Waste Manag Assoc. 2001 May; 51(5):699-707. doi: 10.1080/10473289.2001.10464297"