Photochemical ozone creation potentials for volatile organic compounds: Rationalization and estimation

The Photochemical Ozone Creation Potential (POCP) scale quantifies the relative abilities of volatile organic compounds (VOCs) to produce ground level ozone. POCP values are usually calculated using atmospheric boundary layer models containing detailed representations of atmospheric VOC degradation chemistry. The sensitivity of POCP values to variation of a number of kinetic and mechanistic parameters has been investigated here. It is shown that POCP values for VOCs can be rationalized in terms of their molecular structure and OH reactivity. As a result, a simple method has been developed and optimized that allows POCP values for north-west European and USA urban reference conditions to be estimated for alkanes, alkenes, aromatic hydrocarbons, and several oxygenated VOC classes without the requirement to construct a detailed chemical mechanism or run an atmospheric model. The procedure for determining the estimated POCP value (POCPE) is described, and the results are presented and discussed. (C) 2017 Elsevier Ltd. All rights reserved.