Preprints
https://doi.org/10.5194/acp-2021-649
https://doi.org/10.5194/acp-2021-649

  19 Aug 2021

19 Aug 2021

Review status: this preprint is currently under review for the journal ACP.

Prediction of Secondary Organic Aerosol from the Multiphase Reaction of Gasoline Vapor by Using Volatility–Reactivity Base Lumping

Sanghee Han and Myoseon Jang Sanghee Han and Myoseon Jang
  • Department of Environmental Engineering Science, University of Florida, Gainesville, Florida, USA

Abstract. The secondary organic aerosol (SOA) formation from photooxidation of gasoline vapor was simulated by using the UNIfied Partitioning Aerosol phase Reaction (UNIPAR) model, which predicted SOA growth via multiphase reactions of hydrocarbons. The Carbon Bond 6 (CB6r3) mechanism was incorporated with the SOA model to estimate the hydrocarbon consumption and the concentration of radicals (i.e., RO2 and HO2), which were closely related to atmospheric aging of gas products. Oxygenated products were lumped according to their volatilities and reactivity and linked to stoichiometric coefficients and their physicochemical parameters, which were dynamically constructed at different NOx levels and degrees of gas aging. To assess the gasoline SOA potential in ambient air, model parameters were corrected for gas–wall partitioning (GWP), which was predicted by a qualitative structure activity relationship for explicit products. The simulated gasoline SOA mass was evaluated against observed data obtained in the UF-APHOR chamber under ambient sunlight. The influence of environmental conditions on gasoline SOA was characterized under varying NOx levels, aerosol acidity, humidity, temperature, and concentrations of aqueous salts and gasoline vapor. Both the measured and simulated gasoline SOA formation was sensitive to seeded conditions (acidity and hygroscopicity) and NOx levels. A considerable difference in SOA mass appeared before and after efflorescence relative humidity in the presence of salted aqueous solution. SOA growth in the presence of aqueous reactions was more impacted by temperature than that in absence of seed. The impact of GWP on SOA formation was generally significant, and it appeared to be higher in the absence of wet salts. We conclude that the SOA model in the corpus with both heterogeneous reactions and the model parameters corrected for GWP is essential to accurately predict SOA mass in ambient air.

Sanghee Han and Myoseon Jang

Status: open (until 30 Sep 2021)

Comment types: AC – author | RC – referee | CC – community | EC – editor | CEC – chief editor | : Report abuse
  • RC1: 'Comment on acp-2021-649', Anonymous Referee #1, 09 Sep 2021 reply

Sanghee Han and Myoseon Jang

Sanghee Han and Myoseon Jang

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Short summary
The gasoline SOA formation potential was simulated by using the UNIPAR model coupled with CB6r3 mechanism under varying NOx levels, aerosol acidity, humidity, temperature, and concentrations of aqueous salts and gasoline vapor. The model predicts SOA formation via multiphase reactions in the absence of wall bias. The simulation shows that both heterogeneous reactions in aqueous phase and the implementation of model parameters corrected for GWP are critical to accurately predicting SOA mass.
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