Articles | Volume 20, issue 11
https://doi.org/10.5194/acp-20-6671-2020
https://doi.org/10.5194/acp-20-6671-2020
Research article
 | 
08 Jun 2020
Research article |  | 08 Jun 2020

Atmospheric chemical loss processes of isocyanic acid (HNCO): a combined theoretical kinetic and global modelling study

Simon Rosanka, Giang H. T. Vu, Hue M. T. Nguyen, Tien V. Pham, Umar Javed, Domenico Taraborrelli, and Luc Vereecken

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Cited articles

Alecu, I. M., Zheng, J., Zhao, Y., and Truhlar, D. G.: Computational Thermochemistry: Scale Factor Databases and Scale Factors for Vibrational Frequencies Obtained from Electronic Model Chemistries, J. Chem. Theory Comput., 6, 2872–2887, https://doi.org/10.1021/ct100326h, 2010. 
Baker, R. R. and Bishop, L. J.: The pyrolysis of tobacco ingredients, J. Anal. Appl. Pyrolysis, 71, 223–311, https://doi.org/10.1016/S0165-2370(03)00090-1, 2004. 
Bao, J. L., Zheng, J., Alecu, I. M., Lynch, B. J., Zhao, Y., and Truhlar, D. G.: Database of Frequency Scale Factors for Electronic Model Chemistries (Version 3 Beta 2), available at: http://comp.chem.umn.edu/freqscale/index.html (last access: 29 May 2020), 2017. 
Barnes, I., Solignac, G., Mellouki, A., and Becker, K. H.: Aspects of the Atmospheric Chemistry of Amides, Chemphyschem, 11, 3844–3857, https://doi.org/10.1002/cphc.201000374, 2010. 
Barth, M. C., Cochran, A. K., Fiddler, M. N., Roberts, J. M., and Bililign, S.: Numerical modeling of cloud chemistry effects on isocyanic acid (HNCO), J. Geophys. Res.-Atmos., 118, 8688–8701, https://doi.org/10.1002/jgrd.50661, 2013. 
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Short summary
Isocyanic acid, HNCO, is a toxic chemical compound emitted to the atmosphere by biomass burning and by unwanted release in NOx mitigation systems in vehicles such as the AdBlue system. We have studied the loss processes of HNCO, finding that it is unreactive to most atmospheric oxidants and thus has a long chemical lifetime. The main removal is then by deposition on surfaces and transition to aqueous phase, such as clouds. The long lifetime also allows it to be transported to the stratosphere.
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