Improving the representation of HONO chemistry in CMAQ and examining its impact on haze over China
We compare Community Multiscale Air Quality (CMAQ) model predictions with measured nitrous acid (HONO) concentrations in Beijing, China for December 2015. The model with the existing HONO chemistry in CMAQ severely under-estimates the observed HONO concentrations with a normalized mean bias of -97%....
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Veröffentlicht in: | Atmospheric chemistry and physics 2021-10, Vol.21 (20), p.15809-15826 |
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creator | Zhang, Shuping Sarwar, Golam Xing, Jia Chu, Biwu Xue, Chaoyang Sarav, Arunachalam Ding, Dian Zheng, Haotian Mu, Yujing Duan, Fengkui Ma, Tao He, Hong |
description | We compare Community Multiscale Air Quality (CMAQ) model predictions with measured nitrous acid (HONO) concentrations in Beijing, China for December 2015. The model with the existing HONO chemistry in CMAQ severely under-estimates the observed HONO concentrations with a normalized mean bias of -97%. We revise the HONO chemistry in the model by implementing six additional heterogeneous reactions in the model: reaction of nitrogen dioxide (NO
) on ground surfaces, reaction of NO
on aerosol surfaces, reaction of NO
on soot surfaces, photolysis of aerosol nitrate, nitric acid displacement reaction, and hydrochloric acid displacement reaction. The model with the revised chemistry substantially increases HONO predictions and improves the comparison with observed data with a normalized mean bias of -5%. The photolysis of HONO enhances day-time hydroxyl radical by almost a factor of two. The enhanced hydroxyl radical concentrations compare favourably with observed data and produce additional sulfate via the reaction with sulfur dioxide, aerosol nitrate via the reaction with nitrogen dioxide, and secondary organic aerosols via the reactions with volatile organic compounds. The additional sulfate stemming from revised HONO chemistry improves the comparison with observed concentration; however, it does not close the gap between model prediction and the observation during polluted days. |
doi_str_mv | 10.5194/acp-21-15809-2021 |
format | Article |
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) on ground surfaces, reaction of NO
on aerosol surfaces, reaction of NO
on soot surfaces, photolysis of aerosol nitrate, nitric acid displacement reaction, and hydrochloric acid displacement reaction. The model with the revised chemistry substantially increases HONO predictions and improves the comparison with observed data with a normalized mean bias of -5%. The photolysis of HONO enhances day-time hydroxyl radical by almost a factor of two. The enhanced hydroxyl radical concentrations compare favourably with observed data and produce additional sulfate via the reaction with sulfur dioxide, aerosol nitrate via the reaction with nitrogen dioxide, and secondary organic aerosols via the reactions with volatile organic compounds. The additional sulfate stemming from revised HONO chemistry improves the comparison with observed concentration; however, it does not close the gap between model prediction and the observation during polluted days.</description><identifier>ISSN: 1680-7316</identifier><identifier>ISSN: 1680-7324</identifier><identifier>EISSN: 1680-7324</identifier><identifier>DOI: 10.5194/acp-21-15809-2021</identifier><identifier>PMID: 34804135</identifier><language>eng</language><publisher>Germany: Copernicus GmbH</publisher><subject>Aerosols ; Air quality ; Air quality measurements ; Air quality models ; Analysis ; Atmospheric chemistry ; Bias ; Chemistry ; Displacement ; Emissions ; Haze ; Hydrochloric acid ; Hydroxyl radicals ; Nitrates ; Nitric acid ; Nitric acids ; Nitrogen ; Nitrogen dioxide ; Nitrous acid ; Organic compounds ; Oxidation ; Photolysis ; Predictions ; Secondary aerosols ; Soot ; Sulfates ; Sulfur ; Sulfur dioxide ; Sulphur ; Sulphur dioxide ; VOCs ; Volatile organic compounds</subject><ispartof>Atmospheric chemistry and physics, 2021-10, Vol.21 (20), p.15809-15826</ispartof><rights>COPYRIGHT 2021 Copernicus GmbH</rights><rights>2021. This work is published under https://creativecommons.org/licenses/by/4.0/ (the “License”). Notwithstanding the ProQuest Terms and Conditions, you may use this content in accordance with the terms of the License.</rights><lds50>peer_reviewed</lds50><oa>free_for_read</oa><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c660t-355e6a659bcbb510ddf8a13e6e405243567c1b194a7cc541cebe26618c24d5683</citedby><cites>FETCH-LOGICAL-c660t-355e6a659bcbb510ddf8a13e6e405243567c1b194a7cc541cebe26618c24d5683</cites><orcidid>0000-0002-6836-6944 ; 0000-0002-7048-2856 ; 0000-0001-8476-8217 ; 0000-0002-7548-5669 ; 0000-0002-7591-5403 ; 0000-0001-6673-7716 ; 0000-0002-5501-6048</orcidid></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>230,314,776,780,860,881,2095,27903,27904</link.rule.ids><backlink>$$Uhttps://www.ncbi.nlm.nih.gov/pubmed/34804135$$D View this record in MEDLINE/PubMed$$Hfree_for_read</backlink></links><search><creatorcontrib>Zhang, Shuping</creatorcontrib><creatorcontrib>Sarwar, Golam</creatorcontrib><creatorcontrib>Xing, Jia</creatorcontrib><creatorcontrib>Chu, Biwu</creatorcontrib><creatorcontrib>Xue, Chaoyang</creatorcontrib><creatorcontrib>Sarav, Arunachalam</creatorcontrib><creatorcontrib>Ding, Dian</creatorcontrib><creatorcontrib>Zheng, Haotian</creatorcontrib><creatorcontrib>Mu, Yujing</creatorcontrib><creatorcontrib>Duan, Fengkui</creatorcontrib><creatorcontrib>Ma, Tao</creatorcontrib><creatorcontrib>He, Hong</creatorcontrib><title>Improving the representation of HONO chemistry in CMAQ and examining its impact on haze over China</title><title>Atmospheric chemistry and physics</title><addtitle>Atmos Chem Phys</addtitle><description>We compare Community Multiscale Air Quality (CMAQ) model predictions with measured nitrous acid (HONO) concentrations in Beijing, China for December 2015. The model with the existing HONO chemistry in CMAQ severely under-estimates the observed HONO concentrations with a normalized mean bias of -97%. We revise the HONO chemistry in the model by implementing six additional heterogeneous reactions in the model: reaction of nitrogen dioxide (NO
) on ground surfaces, reaction of NO
on aerosol surfaces, reaction of NO
on soot surfaces, photolysis of aerosol nitrate, nitric acid displacement reaction, and hydrochloric acid displacement reaction. The model with the revised chemistry substantially increases HONO predictions and improves the comparison with observed data with a normalized mean bias of -5%. The photolysis of HONO enhances day-time hydroxyl radical by almost a factor of two. The enhanced hydroxyl radical concentrations compare favourably with observed data and produce additional sulfate via the reaction with sulfur dioxide, aerosol nitrate via the reaction with nitrogen dioxide, and secondary organic aerosols via the reactions with volatile organic compounds. The additional sulfate stemming from revised HONO chemistry improves the comparison with observed concentration; however, it does not close the gap between model prediction and the observation during polluted days.</description><subject>Aerosols</subject><subject>Air quality</subject><subject>Air quality measurements</subject><subject>Air quality models</subject><subject>Analysis</subject><subject>Atmospheric chemistry</subject><subject>Bias</subject><subject>Chemistry</subject><subject>Displacement</subject><subject>Emissions</subject><subject>Haze</subject><subject>Hydrochloric acid</subject><subject>Hydroxyl radicals</subject><subject>Nitrates</subject><subject>Nitric acid</subject><subject>Nitric acids</subject><subject>Nitrogen</subject><subject>Nitrogen dioxide</subject><subject>Nitrous acid</subject><subject>Organic compounds</subject><subject>Oxidation</subject><subject>Photolysis</subject><subject>Predictions</subject><subject>Secondary aerosols</subject><subject>Soot</subject><subject>Sulfates</subject><subject>Sulfur</subject><subject>Sulfur dioxide</subject><subject>Sulphur</subject><subject>Sulphur dioxide</subject><subject>VOCs</subject><subject>Volatile organic 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acids</topic><topic>Nitrogen</topic><topic>Nitrogen dioxide</topic><topic>Nitrous acid</topic><topic>Organic compounds</topic><topic>Oxidation</topic><topic>Photolysis</topic><topic>Predictions</topic><topic>Secondary aerosols</topic><topic>Soot</topic><topic>Sulfates</topic><topic>Sulfur</topic><topic>Sulfur dioxide</topic><topic>Sulphur</topic><topic>Sulphur dioxide</topic><topic>VOCs</topic><topic>Volatile organic compounds</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Zhang, Shuping</creatorcontrib><creatorcontrib>Sarwar, Golam</creatorcontrib><creatorcontrib>Xing, Jia</creatorcontrib><creatorcontrib>Chu, Biwu</creatorcontrib><creatorcontrib>Xue, Chaoyang</creatorcontrib><creatorcontrib>Sarav, Arunachalam</creatorcontrib><creatorcontrib>Ding, Dian</creatorcontrib><creatorcontrib>Zheng, Haotian</creatorcontrib><creatorcontrib>Mu, Yujing</creatorcontrib><creatorcontrib>Duan, Fengkui</creatorcontrib><creatorcontrib>Ma, 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Yujing</au><au>Duan, Fengkui</au><au>Ma, Tao</au><au>He, Hong</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Improving the representation of HONO chemistry in CMAQ and examining its impact on haze over China</atitle><jtitle>Atmospheric chemistry and physics</jtitle><addtitle>Atmos Chem Phys</addtitle><date>2021-10-22</date><risdate>2021</risdate><volume>21</volume><issue>20</issue><spage>15809</spage><epage>15826</epage><pages>15809-15826</pages><issn>1680-7316</issn><issn>1680-7324</issn><eissn>1680-7324</eissn><abstract>We compare Community Multiscale Air Quality (CMAQ) model predictions with measured nitrous acid (HONO) concentrations in Beijing, China for December 2015. The model with the existing HONO chemistry in CMAQ severely under-estimates the observed HONO concentrations with a normalized mean bias of -97%. We revise the HONO chemistry in the model by implementing six additional heterogeneous reactions in the model: reaction of nitrogen dioxide (NO
) on ground surfaces, reaction of NO
on aerosol surfaces, reaction of NO
on soot surfaces, photolysis of aerosol nitrate, nitric acid displacement reaction, and hydrochloric acid displacement reaction. The model with the revised chemistry substantially increases HONO predictions and improves the comparison with observed data with a normalized mean bias of -5%. The photolysis of HONO enhances day-time hydroxyl radical by almost a factor of two. The enhanced hydroxyl radical concentrations compare favourably with observed data and produce additional sulfate via the reaction with sulfur dioxide, aerosol nitrate via the reaction with nitrogen dioxide, and secondary organic aerosols via the reactions with volatile organic compounds. The additional sulfate stemming from revised HONO chemistry improves the comparison with observed concentration; however, it does not close the gap between model prediction and the observation during polluted days.</abstract><cop>Germany</cop><pub>Copernicus GmbH</pub><pmid>34804135</pmid><doi>10.5194/acp-21-15809-2021</doi><tpages>18</tpages><orcidid>https://orcid.org/0000-0002-6836-6944</orcidid><orcidid>https://orcid.org/0000-0002-7048-2856</orcidid><orcidid>https://orcid.org/0000-0001-8476-8217</orcidid><orcidid>https://orcid.org/0000-0002-7548-5669</orcidid><orcidid>https://orcid.org/0000-0002-7591-5403</orcidid><orcidid>https://orcid.org/0000-0001-6673-7716</orcidid><orcidid>https://orcid.org/0000-0002-5501-6048</orcidid><oa>free_for_read</oa></addata></record> |
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subjects | Aerosols Air quality Air quality measurements Air quality models Analysis Atmospheric chemistry Bias Chemistry Displacement Emissions Haze Hydrochloric acid Hydroxyl radicals Nitrates Nitric acid Nitric acids Nitrogen Nitrogen dioxide Nitrous acid Organic compounds Oxidation Photolysis Predictions Secondary aerosols Soot Sulfates Sulfur Sulfur dioxide Sulphur Sulphur dioxide VOCs Volatile organic compounds |
title | Improving the representation of HONO chemistry in CMAQ and examining its impact on haze over China |
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