Preprints
https://doi.org/10.5194/gmd-2022-90
https://doi.org/10.5194/gmd-2022-90
Submitted as: development and technical paper
23 May 2022
Submitted as: development and technical paper | 23 May 2022
Status: this preprint is currently under review for the journal GMD.

A lumped species approach for the simulation of secondary organic aerosol production from intermediate volatility organic compounds (IVOCs): Application to road transport in PMCAMx-iv (v1.0)

Stella E. I. Manavi1,2 and Spyros N. Pandis1,2 Stella E. I. Manavi and Spyros N. Pandis
  • 1Department of Chemical Engineering, University of Patras, Patras, GR 26540, Greece
  • 2Institute of Chemical Engineering Sciences, Foundation for Research and Technology-Hellas, Patras, GR 26540, Greece

Abstract. Secondary organic aerosol (SOA) is formed in the atmosphere through the oxidation and condensation of organic compounds. Intermediate volatility compounds, compounds with effective saturation concentration (C*) at 298 K between 103 and 106 μg m-3, have high SOA yields and can be important SOA precursors. The first efforts to simulate IVOCs in chemical transport models (CTMs) used the volatility basis set (VBS), a highly parametrized scheme that oversimplifies their chemistry. In this work we propose a more detailed approach for simulating IVOCs in CTMs, treating them as lumped species that retain their chemical characteristics. Specifically, we introduce four new lumped species representing large alkanes, two lumped species representing polyaromatic hydrocarbons (PAHs) and one species representing large aromatics, all in the IVOC range. We estimate IVOC emissions from road transport using existing estimates of volatile organic compound (VOC) emissions and emission factors of individual IVOCs from experimental studies. Over the European domain, for the simulated period of May 2008, estimated IVOC emissions from road transport were about 21 Mmol d-1, a factor of 8 higher than emissions used in previous VBS applications. The IVOC emissions from diesel vehicles were significantly higher than those from gasoline ones. SOA yields under low-NOx and high-NOx conditions for the lumped IVOC species were estimated based on recent smog chamber studies. Large cyclic alkane compounds have both high yields and high emissions, making them an important, yet understudied, class of IVOCs.

Stella E. I. Manavi and Spyros N. Pandis

Status: open (until 18 Jul 2022)

Comment types: AC – author | RC – referee | CC – community | EC – editor | CEC – chief editor | : Report abuse
  • RC1: 'Comment on gmd-2022-90', Anonymous Referee #1, 18 Jun 2022 reply

Stella E. I. Manavi and Spyros N. Pandis

Stella E. I. Manavi and Spyros N. Pandis

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Short summary
The paper describes the first step towards the development of a simulation framework for the chemistry and secondary organic aerosol production of intermediate volatility organic compounds (IVOCs). These compounds can be a significant source of organic particulate matter. Our approach treats IVOCs as lumped compounds that retain their chemical characteristics. Estimated IVOC emissions from road transport were a factor of 8 higher than emissions used in previous applications.