Predicting ozone formation in the troposphere using mechanistic modeling

Linda J Broadbelt*, Shumaila Khan

*Corresponding author for this work

Research output: Chapter in Book/Report/Conference proceedingConference contribution


Ozone is a major component of photochemical smog, an important air quality problem. It is important to determine how significantly a particular VOC contributes to ozone formation for both environmental and industrial purposes. A promising strategy is to assemble knowledge of the kinetics and photochemistry into detailed mechanistic models from which predictions of ozone concentrations may be obtained. Automated mechanism generation was applied. A group additivity approach was developed to estimate absorption cross sections over the wavelength region of tropospheric interest. Mechanisms were generated automatically for various systems using different criteria for halting generation to control the explosive nature of the chemistry. A range of VOC mixtures was studied. The models were able to extrapolate well to different conditions. This is an abstract of a paper presented at the AIChE Spring National Meeting (New Orleans, LA 4/6-10/2008).

Original languageEnglish (US)
Title of host publication2008 AIChE Spring National Meeting, Conference Proceedings
StatePublished - Dec 23 2008
Event2008 AIChE Spring National Meeting, Conference - New Orleans, LA, United States
Duration: Apr 6 2008Apr 10 2008


Other2008 AIChE Spring National Meeting, Conference
Country/TerritoryUnited States
CityNew Orleans, LA

ASJC Scopus subject areas

  • Biotechnology
  • Chemical Engineering(all)
  • Bioengineering
  • Safety, Risk, Reliability and Quality


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