Derivation of the reduced reaction mechanisms of ozone depletion events in the Arctic spring by using concentration sensitivity analysis and principal component analysis
The ozone depletion events (ODEs) in the springtime Arctic have been investigated since the 1980s. It is found that the depletion of ozone is highly associated with an auto-catalytic reaction cycle, which involves mostly the bromine-containing compounds. Moreover, bromide stored in various substrate...
Published in: | Atmospheric Chemistry and Physics |
---|---|
Main Authors: | , , , , |
Other Authors: | |
Format: | Article in Journal/Newspaper |
Language: | English |
Published: |
Copernicus GmbH
2016
|
Subjects: | |
Online Access: | http://hdl.handle.net/2078.1/201885 https://doi.org/10.5194/acp-16-14853-2016 |
id |
ftunivlouvain:oai:dial.uclouvain.be:boreal:201885 |
---|---|
record_format |
openpolar |
spelling |
ftunivlouvain:oai:dial.uclouvain.be:boreal:201885 2024-05-12T07:59:29+00:00 Derivation of the reduced reaction mechanisms of ozone depletion events in the Arctic spring by using concentration sensitivity analysis and principal component analysis Cao, Le Wang, Chenggang Mao, Mao Grosshans, Holger Cao, Nianwen UCL - SST/IMMC - Institute of Mechanics, Materials and Civil Engineering 2016 http://hdl.handle.net/2078.1/201885 https://doi.org/10.5194/acp-16-14853-2016 eng eng Copernicus GmbH boreal:201885 http://hdl.handle.net/2078.1/201885 doi:10.5194/acp-16-14853-2016 urn:ISSN:1680-7316 urn:EISSN:1680-7324 Atmospheric Chemistry and Physics, Vol. 16, no.23, p. 14853-14873 (2016) Atmospheric Science info:eu-repo/semantics/article 2016 ftunivlouvain https://doi.org/10.5194/acp-16-14853-2016 2024-04-17T16:53:04Z The ozone depletion events (ODEs) in the springtime Arctic have been investigated since the 1980s. It is found that the depletion of ozone is highly associated with an auto-catalytic reaction cycle, which involves mostly the bromine-containing compounds. Moreover, bromide stored in various substrates in the Arctic such as the underlying surface covered by ice and snow can be also activated by the absorbed HOBr. Subsequently, this leads to an explosive increase of the bromine amount in the troposphere, which is called the "bromine explosion mechanism". In the present study, a reaction scheme representing the chemistry of ozone depletion and halogen release is processed with two different mechanism reduction approaches, namely, the concentration sensitivity analysis and the principal component analysis. In the concentration sensitivity analysis, the interdependence of the mixing ratios of ozone and principal bromine species on the rate of each reaction in the ODE mechanism is identified. Furthermore, the most influential reactions in different time periods of ODEs are also revealed. By removing 11 reactions with the maximum absolute values of sensitivities lower than 10 %, a reduced reaction mechanism of ODEs is derived. The onsets of each time period of ODEs in simulations using the original reaction mechanism and the reduced reaction mechanism are identical while the maximum deviation of the mixing ratio of principal bromine species between different mechanisms is found to be less than 1 %. By performing the principal component analysis on an array of the sensitivity matrices, the dependence of a particular species concentration on a combination of the reaction rates in the mechanism is revealed. Redundant reactions are indicated by principal components corresponding to small eigenvalues and insignificant elements in principal components with large eigenvalues. Through this investigation, aside from the 11 reactions identified as unimportant in the concentration sensitivity analysis, additionally nine reactions ... Article in Journal/Newspaper Arctic DIAL@UCLouvain (Université catholique de Louvain) Arctic Atmospheric Chemistry and Physics 16 23 14853 14873 |
institution |
Open Polar |
collection |
DIAL@UCLouvain (Université catholique de Louvain) |
op_collection_id |
ftunivlouvain |
language |
English |
topic |
Atmospheric Science |
spellingShingle |
Atmospheric Science Cao, Le Wang, Chenggang Mao, Mao Grosshans, Holger Cao, Nianwen Derivation of the reduced reaction mechanisms of ozone depletion events in the Arctic spring by using concentration sensitivity analysis and principal component analysis |
topic_facet |
Atmospheric Science |
description |
The ozone depletion events (ODEs) in the springtime Arctic have been investigated since the 1980s. It is found that the depletion of ozone is highly associated with an auto-catalytic reaction cycle, which involves mostly the bromine-containing compounds. Moreover, bromide stored in various substrates in the Arctic such as the underlying surface covered by ice and snow can be also activated by the absorbed HOBr. Subsequently, this leads to an explosive increase of the bromine amount in the troposphere, which is called the "bromine explosion mechanism". In the present study, a reaction scheme representing the chemistry of ozone depletion and halogen release is processed with two different mechanism reduction approaches, namely, the concentration sensitivity analysis and the principal component analysis. In the concentration sensitivity analysis, the interdependence of the mixing ratios of ozone and principal bromine species on the rate of each reaction in the ODE mechanism is identified. Furthermore, the most influential reactions in different time periods of ODEs are also revealed. By removing 11 reactions with the maximum absolute values of sensitivities lower than 10 %, a reduced reaction mechanism of ODEs is derived. The onsets of each time period of ODEs in simulations using the original reaction mechanism and the reduced reaction mechanism are identical while the maximum deviation of the mixing ratio of principal bromine species between different mechanisms is found to be less than 1 %. By performing the principal component analysis on an array of the sensitivity matrices, the dependence of a particular species concentration on a combination of the reaction rates in the mechanism is revealed. Redundant reactions are indicated by principal components corresponding to small eigenvalues and insignificant elements in principal components with large eigenvalues. Through this investigation, aside from the 11 reactions identified as unimportant in the concentration sensitivity analysis, additionally nine reactions ... |
author2 |
UCL - SST/IMMC - Institute of Mechanics, Materials and Civil Engineering |
format |
Article in Journal/Newspaper |
author |
Cao, Le Wang, Chenggang Mao, Mao Grosshans, Holger Cao, Nianwen |
author_facet |
Cao, Le Wang, Chenggang Mao, Mao Grosshans, Holger Cao, Nianwen |
author_sort |
Cao, Le |
title |
Derivation of the reduced reaction mechanisms of ozone depletion events in the Arctic spring by using concentration sensitivity analysis and principal component analysis |
title_short |
Derivation of the reduced reaction mechanisms of ozone depletion events in the Arctic spring by using concentration sensitivity analysis and principal component analysis |
title_full |
Derivation of the reduced reaction mechanisms of ozone depletion events in the Arctic spring by using concentration sensitivity analysis and principal component analysis |
title_fullStr |
Derivation of the reduced reaction mechanisms of ozone depletion events in the Arctic spring by using concentration sensitivity analysis and principal component analysis |
title_full_unstemmed |
Derivation of the reduced reaction mechanisms of ozone depletion events in the Arctic spring by using concentration sensitivity analysis and principal component analysis |
title_sort |
derivation of the reduced reaction mechanisms of ozone depletion events in the arctic spring by using concentration sensitivity analysis and principal component analysis |
publisher |
Copernicus GmbH |
publishDate |
2016 |
url |
http://hdl.handle.net/2078.1/201885 https://doi.org/10.5194/acp-16-14853-2016 |
geographic |
Arctic |
geographic_facet |
Arctic |
genre |
Arctic |
genre_facet |
Arctic |
op_source |
Atmospheric Chemistry and Physics, Vol. 16, no.23, p. 14853-14873 (2016) |
op_relation |
boreal:201885 http://hdl.handle.net/2078.1/201885 doi:10.5194/acp-16-14853-2016 urn:ISSN:1680-7316 urn:EISSN:1680-7324 |
op_doi |
https://doi.org/10.5194/acp-16-14853-2016 |
container_title |
Atmospheric Chemistry and Physics |
container_volume |
16 |
container_issue |
23 |
container_start_page |
14853 |
op_container_end_page |
14873 |
_version_ |
1798840845445627904 |