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
Hauptverfasser: Zhang, Shuping, Sarwar, Golam, Xing, Jia, Chu, Biwu, Xue, Chaoyang, Sarav, Arunachalam, Ding, Dian, Zheng, Haotian, Mu, Yujing, Duan, Fengkui, Ma, Tao, He, Hong
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container_issue 20
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container_title Atmospheric chemistry and physics
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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.
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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><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. 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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 compounds</subject><issn>1680-7316</issn><issn>1680-7324</issn><issn>1680-7324</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2021</creationdate><recordtype>article</recordtype><sourceid>ABUWG</sourceid><sourceid>AFKRA</sourceid><sourceid>AZQEC</sourceid><sourceid>BENPR</sourceid><sourceid>CCPQU</sourceid><sourceid>DWQXO</sourceid><sourceid>GNUQQ</sourceid><sourceid>DOA</sourceid><recordid>eNptkl2PEyEUhidG437oD_DGkHjlxazAADNzY9I0uttktfHrmgBzpqXpwAi02fXXS7drdRLDBeTwvk84h7coXhF8xUnL3ikzlpSUhDe4LSmm5ElxTkSDy7qi7OnpTMRZcRHjBmPKMWHPi7OKNZiRip8XejGMwe-tW6G0BhRgDBDBJZWsd8j36Gb5eYnMGgYbU7hH1qH5p9kXpFyH4E4N1h2sNkVkh1GZhLJrrX4B8nsIaL62Tr0onvVqG-Hl435Z_Pj44fv8prxdXi_ms9vSCIFTWXEOQgneaqM1J7jr-kaRCgQwzCmruKgN0bltVRvDGTGggQpBGkNZx0VTXRaLI7fzaiPHYAcV7qVXVj4UfFhJFZI1W5Cc676DDCFYsxY3Gpg2tRY9YZgp1WbW-yNr3OkBOpMnEtR2Ap3eOLuWK7-XDW9rXvMMePMICP7nDmKSG78LLvcvKW8YFYzj9q9qpfKrrOt9hpk8aiNnom5bgit6UF39R5VXl3_FeAe9zfWJ4e3EkDUJ7tJK7WKUi29fp1py1JrgYwzQn5okWB5SJnPKJCXyIWXykLLsef3vdE6OP7GqfgO-ysuN</recordid><startdate>20211022</startdate><enddate>20211022</enddate><creator>Zhang, Shuping</creator><creator>Sarwar, Golam</creator><creator>Xing, Jia</creator><creator>Chu, Biwu</creator><creator>Xue, Chaoyang</creator><creator>Sarav, Arunachalam</creator><creator>Ding, Dian</creator><creator>Zheng, Haotian</creator><creator>Mu, Yujing</creator><creator>Duan, Fengkui</creator><creator>Ma, Tao</creator><creator>He, Hong</creator><general>Copernicus GmbH</general><general>Copernicus Publications</general><scope>NPM</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>ISR</scope><scope>7QH</scope><scope>7TG</scope><scope>7TN</scope><scope>7UA</scope><scope>8FD</scope><scope>8FE</scope><scope>8FG</scope><scope>ABUWG</scope><scope>AEUYN</scope><scope>AFKRA</scope><scope>ARAPS</scope><scope>ATCPS</scope><scope>AZQEC</scope><scope>BENPR</scope><scope>BFMQW</scope><scope>BGLVJ</scope><scope>BHPHI</scope><scope>BKSAR</scope><scope>C1K</scope><scope>CCPQU</scope><scope>DWQXO</scope><scope>F1W</scope><scope>GNUQQ</scope><scope>H8D</scope><scope>H96</scope><scope>HCIFZ</scope><scope>KL.</scope><scope>L.G</scope><scope>L7M</scope><scope>P5Z</scope><scope>P62</scope><scope>PATMY</scope><scope>PCBAR</scope><scope>PIMPY</scope><scope>PQEST</scope><scope>PQQKQ</scope><scope>PQUKI</scope><scope>PYCSY</scope><scope>5PM</scope><scope>DOA</scope><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></search><sort><creationdate>20211022</creationdate><title>Improving the representation of HONO chemistry in CMAQ and examining its impact on haze over China</title><author>Zhang, Shuping ; 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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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