Linking gas, particulate, and toxic endpoints to air emissions in the Community Regional Atmospheric Chemistry Multiphase Mechanism (CRACMM)

Pye, Havala O. T.; Place, Bryan K.; Murphy, Benjamin N.; Seltzer, Karl M.; D'Ambro, Emma L.; Allen, Christine; Piletic, Ivan R.; Farrell, Sara; Schwantes, Rebecca H.; Coggon, Matthew M.; Saunders, Emily; Xu, Lu; Sarwar, Golam; Hutzell, William T.; Foley, Kristen M.; Pouliot, George; Bash, Jesse; Stockwell, William R.

doi:https://doi.org/10.5194/acp-23-5043-2023

Articles | Volume 23, issue 9

https://doi.org/10.5194/acp-23-5043-2023

© Author(s) 2023. This work is distributed under
the Creative Commons Attribution 4.0 License.

https://doi.org/10.5194/acp-23-5043-2023

© Author(s) 2023. This work is distributed under
the Creative Commons Attribution 4.0 License.

Articles | Volume 23, issue 9

Research article

|

04 May 2023

Research article |

| 04 May 2023

Linking gas, particulate, and toxic endpoints to air emissions in the Community Regional Atmospheric Chemistry Multiphase Mechanism (CRACMM)

Havala O. T. Pye, Bryan K. Place, Benjamin N. Murphy, Karl M. Seltzer, Emma L. D'Ambro, Christine Allen, Ivan R. Piletic, Sara Farrell, Rebecca H. Schwantes, Matthew M. Coggon, Emily Saunders, Lu Xu, Golam Sarwar, William T. Hutzell, Kristen M. Foley, George Pouliot, Jesse Bash, and William R. Stockwell

Supplement

https://doi.org/10.5194/acp-23-5043-2023-supplement

Data sets

Data for the Community Regional Atmospheric Chemistry Multiphase Mechanism (CRACMM) version 1.0 Havala O. T. Pye https://doi.org/10.23719/1527956

SPECIATE U.S. Environmental Protection Agency https://www.epa.gov/air-emissions-modeling/speciate

Model code and software

CRACMM Repository Havala O. T. Pye and US Environmental Protection Agency https://github.com/USEPA/CRACMM

CMAQ Repository US Environmental Protection Agency https://github.com/USEPA/CMAQ

CMAQv5.4 Code Archive US EPA Office of Research and Development https://doi.org/10.5281/zenodo.7218076

rdkit/rdkit: 2020_09_1 (Q3 2020) Release RDKit https://doi.org/10.5281/zenodo.4107869

CMAQ (Version 5.3.3) U.S. Environmental Protection Agency Office of Research and Development https://doi.org/10.5281/zenodo.3585898

Short summary

Chemical mechanisms describe how emissions from vehicles, vegetation, and other sources are chemically transformed in the atmosphere to secondary products including criteria and hazardous air pollutants. The Community Regional Atmospheric Chemistry Multiphase Mechanism integrates gas-phase radical chemistry with pathways to fine-particle mass. New species were implemented, resulting in a bottom-up representation of organic aerosol, which is required for accurate source attribution of pollutants.