Kinetic mechanism for predicting secondary organic aerosol formation from the reaction of d-limonene with ozone.
A semi-explicit mechanism of d-limonene was developed and tested against experimental results obtained from large outdoor Teflon film chambers at the University of North Carolina (UNC) smog chamber facility. The model couples gas-phase reactions with partitioning processes and possible particle-phase reactions. The model not only tracks the gas-phase ozonolysis reaction of d-limonene, but also provides a reasonable prediction of the secondary aerosol mass production under different conditions. Limononaldehyde was the major identified product, followed by limona-ketone, referred to here as keto-limonene, keto-limononaldehyde, limononic acid, and keto-limononic acid. Identified particle-phase products accounted for about 60% of the observed particle mass in the initial stages of the reaction. Model sensitivity was tested and discussed with respect to effects of temperature, humidity, water uptake, and reactant concentrations.
Department of Environmental Sciences and Engineering, University of North Carolina, Chapel Hill 27514, USA.
Sirakarn
S
Leungsakul
Mohammed
M
Jaoui
Richard M
RM
Kamens
D000336:Aerosols / Q000737:chemistry*; D000393:Air Pollutants / Q000633:toxicity*; D000447:Aldehydes / Q000737:chemistry*; D001272:Atmosphere; D053138:Cyclohexenes; D006813:Humidity; D007700:Kinetics; D000077222:Limonene; D008956:Models, Chemical; D009657:North Carolina; D010126:Ozone / Q000737:chemistry*; D017550:Spectroscopy, Fourier Transform Infrared; D013696:Temperature; D013729:Terpenes / Q000737:chemistry*; D013997:Time Factors
D000336:Aerosols; D000393:Air Pollutants; D000447:Aldehydes; D053138:Cyclohexenes; D013729:Terpenes; D010126:Ozone; D000077222:Limonene