Evaluation of isoprene nitrate chemistry in detailed chemical mechanisms

Mayhew, Alfred W.; Lee, Ben H.; Thornton, Joel A.; Bannan, Thomas J.; Brean, James; Hopkins, James R.; Lee, James D.; Nelson, Beth S.; Percival, Carl; Rickard, Andrew R.; Shaw, Marvin D.; Edwards, Peter M.; Hamilton, Jaqueline F.

doi:https://doi.org/10.5194/acp-22-14783-2022

Articles | Volume 22, issue 22

https://doi.org/10.5194/acp-22-14783-2022

© Author(s) 2022. This work is distributed under
the Creative Commons Attribution 4.0 License.

https://doi.org/10.5194/acp-22-14783-2022

© Author(s) 2022. This work is distributed under
the Creative Commons Attribution 4.0 License.

Articles | Volume 22, issue 22

Research article

|

21 Nov 2022

Research article |

| 21 Nov 2022

Evaluation of isoprene nitrate chemistry in detailed chemical mechanisms

Alfred W. Mayhew, Ben H. Lee, Joel A. Thornton, Thomas J. Bannan, James Brean, James R. Hopkins, James D. Lee, Beth S. Nelson, Carl Percival, Andrew R. Rickard, Marvin D. Shaw, Peter M. Edwards, and Jaqueline F. Hamilton

Supplement

https://doi.org/10.5194/acp-22-14783-2022-supplement

Data sets

Mayhew et al. 2022 Chemical Mechanisms J. Hamilton https://doi.org/10.15124/500474f7-6e69-47db-baf7-36310451fd15

Atmospheric Pollution & Human Health in a Developing Megacity (APHH) R. Harrison, R. Sokhi, F. J. Kelly, E. Nemitz, W. Bloss, M. Loh, and A. C. Lewis http://catalogue.ceda.ac.uk/uuid/7ed9d8a288814b8b85433b0d3fec0300

Model code and software

AtChem (version 1), an open-source box model for the Master Chemical Mechanism (https://github.com/AtChem) R. Sommariva, S. Cox, C. Martin, K. Borońska, J. Young, P. K. Jimack, M. J. Pilling, V. N. Matthaios, B. S. Nelson, M. J. Newland M. Panagi, W. J. Bloss, P. S. Monks, and A. R. Rickard https://doi.org/10.5194/gmd-13-169-2020

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Short summary

Isoprene nitrates are chemical species commonly found in the atmosphere that are important for their impacts on air quality and climate. This paper compares 3 different representations of the chemistry of isoprene nitrates in computational models highlighting cases where the choice of chemistry included has significant impacts on the concentration and composition of the modelled nitrates. Calibration of mass spectrometers is also shown to be an important factor when analysing isoprene nitrates.