Articles | Volume 20, issue 11
https://doi.org/10.5194/acp-20-6671-2020
© Author(s) 2020. This work is distributed under
the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
https://doi.org/10.5194/acp-20-6671-2020
© Author(s) 2020. This work is distributed under
the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
Research article
| 
08 Jun 2020
Research article |
| 08 Jun 2020
| 08 Jun 2020
Atmospheric chemical loss processes of isocyanic acid (HNCO): a combined theoretical kinetic and global modelling study
Simon Rosanka
Institute for energy and climate research, Forschungszentrum
Jülich GmbH, Jülich, Germany
Giang H. T. Vu
Faculty of Chemistry and Center for Computational Science, Hanoi
National University of Education, Hanoi, Vietnam
Hue M. T. Nguyen
CORRESPONDING AUTHOR
Faculty of Chemistry and Center for Computational Science, Hanoi
National University of Education, Hanoi, Vietnam
Tien V. Pham
School of Chemical Engineering, Hanoi University of Science and
Technology, Hanoi, Vietnam
Umar Javed
Institute for energy and climate research, Forschungszentrum
Jülich GmbH, Jülich, Germany
Domenico Taraborrelli
CORRESPONDING AUTHOR
Institute for energy and climate research, Forschungszentrum
Jülich GmbH, Jülich, Germany
Luc Vereecken
Institute for energy and climate research, Forschungszentrum
Jülich GmbH, Jülich, Germany
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Cited
14 citations as recorded by crossref.
- Reaction mechanisms for methyl isocyanate (CH3NCO) gas-phase degradation B. Etz et al. 10.1016/j.jhazmat.2024.134628
- Simulation of organics in the atmosphere: evaluation of EMACv2.54 with the Mainz Organic Mechanism (MOM) coupled to the ORACLE (v1.0) submodel A. Pozzer et al. 10.5194/gmd-15-2673-2022
- Quantitative kinetics of the atmospheric reaction between isocyanic acid and hydroxyl radicals: post-CCSD(T) contribution, anharmonicity, recrossing effects, torsional anharmonicity, and tunneling D. Deng & B. Long 10.1039/D3CP04385A
- Measurement report: Enhanced photochemical formation of formic and isocyanic acids in urban regions aloft – insights from tower-based online gradient measurements Q. Yang et al. 10.5194/acp-24-6865-2024
- Insights into non-thermal plasma chemistry of acetone diluted in N2/O2 mixtures: a real-time MS experiment S. Thomas et al. 10.1039/D2CP02119F
- Solvation and Hydrolysis Reaction of Isocyanic Acid at the Air–Water Interface: A Computational Study J. Zhong et al. 10.1021/jacs.1c10703
- Gas Phase Reaction of Isocyanic Acid: Kinetics, Mechanisms, and Formation of Isopropyl Aminocarbonyl T. Pham & A. Tran 10.1021/acsomega.1c05063
- Oxidation of low-molecular-weight organic compounds in cloud droplets: global impact on tropospheric oxidants S. Rosanka et al. 10.5194/acp-21-9909-2021
- Reaction of OH with Aliphatic and Aromatic Isocyanates O. Welz et al. 10.1021/acs.jpca.2c06011
- The impact of organic pollutants from Indonesian peatland fires on the tropospheric and lower stratospheric composition S. Rosanka et al. 10.5194/acp-21-11257-2021
- High Concentrations of Atmospheric Isocyanic Acid (HNCO) Produced from Secondary Sources in China Z. Wang et al. 10.1021/acs.est.0c02843
- Characterization and photochemistry of XCO2 (X = F, NH2, CH3) radicals S. Kechoindi et al. 10.1140/epjs/s11734-023-00918-1
- Catalyzed reaction of isocyanates (RNCO) with water M. Wolf et al. 10.1039/D1CP03302F
- Airborne glyoxal measurements in the marine and continental atmosphere: comparison with TROPOMI observations and EMAC simulations F. Kluge et al. 10.5194/acp-23-1369-2023
14 citations as recorded by crossref.
- Reaction mechanisms for methyl isocyanate (CH3NCO) gas-phase degradation B. Etz et al. 10.1016/j.jhazmat.2024.134628
- Simulation of organics in the atmosphere: evaluation of EMACv2.54 with the Mainz Organic Mechanism (MOM) coupled to the ORACLE (v1.0) submodel A. Pozzer et al. 10.5194/gmd-15-2673-2022
- Quantitative kinetics of the atmospheric reaction between isocyanic acid and hydroxyl radicals: post-CCSD(T) contribution, anharmonicity, recrossing effects, torsional anharmonicity, and tunneling D. Deng & B. Long 10.1039/D3CP04385A
- Measurement report: Enhanced photochemical formation of formic and isocyanic acids in urban regions aloft – insights from tower-based online gradient measurements Q. Yang et al. 10.5194/acp-24-6865-2024
- Insights into non-thermal plasma chemistry of acetone diluted in N2/O2 mixtures: a real-time MS experiment S. Thomas et al. 10.1039/D2CP02119F
- Solvation and Hydrolysis Reaction of Isocyanic Acid at the Air–Water Interface: A Computational Study J. Zhong et al. 10.1021/jacs.1c10703
- Gas Phase Reaction of Isocyanic Acid: Kinetics, Mechanisms, and Formation of Isopropyl Aminocarbonyl T. Pham & A. Tran 10.1021/acsomega.1c05063
- Oxidation of low-molecular-weight organic compounds in cloud droplets: global impact on tropospheric oxidants S. Rosanka et al. 10.5194/acp-21-9909-2021
- Reaction of OH with Aliphatic and Aromatic Isocyanates O. Welz et al. 10.1021/acs.jpca.2c06011
- The impact of organic pollutants from Indonesian peatland fires on the tropospheric and lower stratospheric composition S. Rosanka et al. 10.5194/acp-21-11257-2021
- High Concentrations of Atmospheric Isocyanic Acid (HNCO) Produced from Secondary Sources in China Z. Wang et al. 10.1021/acs.est.0c02843
- Characterization and photochemistry of XCO2 (X = F, NH2, CH3) radicals S. Kechoindi et al. 10.1140/epjs/s11734-023-00918-1
- Catalyzed reaction of isocyanates (RNCO) with water M. Wolf et al. 10.1039/D1CP03302F
- Airborne glyoxal measurements in the marine and continental atmosphere: comparison with TROPOMI observations and EMAC simulations F. Kluge et al. 10.5194/acp-23-1369-2023
Latest update: 13 Dec 2024
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.
Isocyanic acid, HNCO, is a toxic chemical compound emitted to the atmosphere by biomass burning...
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