Towards automated inclusion of autoxidation chemistry in models: from precursors to atmospheric implications

Author:

Pichelstorfer Lukas123ORCID,Roldin Pontus4,Rissanen Matti56,Hyttinen Noora7ORCID,Garmash Olga58,Xavier Carlton349,Zhou Putian3,Clusius Petri3,Foreback Benjamin310,Golin Almeida Thomas36ORCID,Deng Chenjuan11,Baykara Metin31012,Kurten Theo6,Boy Michael31013ORCID

Affiliation:

1. pi-numerics, Neumarkt amW., 5202, Austria

2. Chemistry and Physics of Materials, University of Salzburg, A-5020, Austria

3. Institute for Atmospheric and Earth System Research/Physics, University of Helsinki, 00560 Helsinki, Finland

4. Division of Nuclear Physics, Department of Physics, Lund University, P. O. Box 118, 221 00 Lund, Sweden

5. Aerosol Physics Laboratory, Tampere University, 33720 Tampere, Finland

6. Department of Chemistry, University of Helsinki, 00014 Helsinki, Finland

7. Department of Chemistry, Nanoscience Center, University of Jyväskylä, FI-40014 Jyväskylä, Finland

8. Department of Atmospheric Sciences, University of Washington, Seattle, WA, USA

9. SMHI/Swedish Meteorological and Hydrological Institute Research Department, Unit of Meteorology/Environment and Climate, SE-601 76 Norrköping, Sweden

10. Atmospheric Modelling Centre Lahti, Niemenkatu 73, Lahti University Campus, 15140 Lahti, Finland

11. State Key Joint Laboratory of Environment Simulation and Pollution Control, School of Environment, Tsinghua University, 100084 Beijing, China

12. Climate and Marine Sciences Department, Eurasia Institute of Earth Sciences, Istanbul Technical University, Maslak, Istanbul, 34469, Turkey

13. School of Engineering Science, Lappeenranta-Lahti University of Technology, 53851 Lappeenranta, Finland

Abstract

Demonstration of a novel framework producing autoxidation chemistry reaction schemes: an exemplary application for benzene.

Funder

Helsingin Yliopisto

Austrian Science Fund

HORIZON EUROPE Climate, Energy and Mobility

Svenska Forskningsrådet Formas

Jane ja Aatos Erkon Säätiö

Research Council of Finland

Crafoordska Stiftelsen

Stockholms Universitet

European Research Council

Publisher

Royal Society of Chemistry (RSC)

Reference80 articles.

1. WHO Global Air Quality Guidelines , Particulate Matter (PM2.5 and PM10), Ozone, Nitrogen Dioxide, Sulfur Dioxide and Carbon Monoxide , Wold Health Organization , Geneva , 2021

2. Pollution and health: a progress update

3. Particulate Matter (PM) Pollution , https://www.epa.gov/pm-pollution , accessed, 8 November, 2022

4. Ambient (Outdoor) Air Pollution , https://www.who.int/news-room/fact-sheets/detail/ambient-(outdoor)-air-quality-and-health , accessed, 8 November, 2022

5. The health effects of ultrafine particles

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