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Modeling the impact of heterogeneous reactions of chlorine on summertime nitrate formation in Beijing, China
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| Zeitschriftentitel: | Atmospheric Chemistry and Physics |
|---|---|
| Personen und Körperschaften: | , , , , , , , , , , , , |
| In: | Atmospheric Chemistry and Physics, 19, 2019, 10, S. 6737-6747 |
| Format: | E-Article |
| Sprache: | Englisch |
| veröffentlicht: |
Copernicus GmbH
|
| Schlagwörter: |
| author_facet |
Qiu, Xionghui Ying, Qi Wang, Shuxiao Duan, Lei Zhao, Jian Xing, Jia Ding, Dian Sun, Yele Liu, Baoxian Shi, Aijun Yan, Xiao Xu, Qingcheng Hao, Jiming Qiu, Xionghui Ying, Qi Wang, Shuxiao Duan, Lei Zhao, Jian Xing, Jia Ding, Dian Sun, Yele Liu, Baoxian Shi, Aijun Yan, Xiao Xu, Qingcheng Hao, Jiming |
|---|---|
| author |
Qiu, Xionghui Ying, Qi Wang, Shuxiao Duan, Lei Zhao, Jian Xing, Jia Ding, Dian Sun, Yele Liu, Baoxian Shi, Aijun Yan, Xiao Xu, Qingcheng Hao, Jiming |
| spellingShingle |
Qiu, Xionghui Ying, Qi Wang, Shuxiao Duan, Lei Zhao, Jian Xing, Jia Ding, Dian Sun, Yele Liu, Baoxian Shi, Aijun Yan, Xiao Xu, Qingcheng Hao, Jiming Atmospheric Chemistry and Physics Modeling the impact of heterogeneous reactions of chlorine on summertime nitrate formation in Beijing, China Atmospheric Science |
| author_sort |
qiu, xionghui |
| spelling |
Qiu, Xionghui Ying, Qi Wang, Shuxiao Duan, Lei Zhao, Jian Xing, Jia Ding, Dian Sun, Yele Liu, Baoxian Shi, Aijun Yan, Xiao Xu, Qingcheng Hao, Jiming 1680-7324 Copernicus GmbH Atmospheric Science http://dx.doi.org/10.5194/acp-19-6737-2019 <jats:p>Abstract. Comprehensive chlorine heterogeneous chemistry is incorporated into the Community Multiscale Air Quality (CMAQ) model to evaluate the impact of chlorine-related heterogeneous reaction on diurnal and nocturnal nitrate formation and quantify the nitrate formation from gas-to-particle partitioning of HNO3 and from different heterogeneous pathways. The results show that these heterogeneous reactions increase the atmospheric Cl2 and ClNO2 level (∼ 100 %), which further affects the nitrate formation. Sensitivity analyses of uptake coefficients show that the empirical uptake coefficient for the O3 heterogeneous reaction with chlorinated particles may lead to the large uncertainties in the predicted Cl2 and nitrate concentrations. The N2O5 uptake coefficient with particulate Cl− concentration dependence performs better in capturing the concentration of ClNO2 and nocturnal nitrate concentration. The reaction of OH and NO2 in the daytime increases the nitrate by ∼15 % when the heterogeneous chlorine chemistry is incorporated, resulting in more nitrate formation from HNO3 gas-to-particle partitioning. By contrast, the contribution of the heterogeneous reaction of N2O5 to nitrate concentrations decreases by about 27 % in the nighttime, when its reactions with chlorinated particles are considered. However, the generated gas-phase ClNO2 from the heterogeneous reaction of N2O5 and chlorine-containing particles further reacts with the particle surface to increase the nitrate by 6 %. In general, this study highlights the potential of significant underestimation of daytime concentrations and overestimation of nighttime nitrate concentrations for chemical transport models without proper chlorine chemistry in the gas and particle phases. </jats:p> Modeling the impact of heterogeneous reactions of chlorine on summertime nitrate formation in Beijing, China Atmospheric Chemistry and Physics |
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10.5194/acp-19-6737-2019 |
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Copernicus GmbH, 2019 |
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Copernicus GmbH, 2019 |
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| title |
Modeling the impact of heterogeneous reactions of chlorine on summertime nitrate formation in Beijing, China |
| title_unstemmed |
Modeling the impact of heterogeneous reactions of chlorine on summertime nitrate formation in Beijing, China |
| title_full |
Modeling the impact of heterogeneous reactions of chlorine on summertime nitrate formation in Beijing, China |
| title_fullStr |
Modeling the impact of heterogeneous reactions of chlorine on summertime nitrate formation in Beijing, China |
| title_full_unstemmed |
Modeling the impact of heterogeneous reactions of chlorine on summertime nitrate formation in Beijing, China |
| title_short |
Modeling the impact of heterogeneous reactions of chlorine on summertime nitrate formation in Beijing, China |
| title_sort |
modeling the impact of heterogeneous reactions of chlorine on summertime nitrate formation in beijing, china |
| topic |
Atmospheric Science |
| url |
http://dx.doi.org/10.5194/acp-19-6737-2019 |
| publishDate |
2019 |
| physical |
6737-6747 |
| description |
<jats:p>Abstract. Comprehensive chlorine heterogeneous chemistry is incorporated
into the Community Multiscale Air Quality (CMAQ) model to evaluate the impact
of chlorine-related heterogeneous reaction on diurnal and nocturnal nitrate
formation and quantify the nitrate formation from gas-to-particle
partitioning of HNO3 and from different heterogeneous pathways. The
results show that these heterogeneous reactions increase the atmospheric
Cl2 and ClNO2 level (∼ 100 %), which further
affects the nitrate formation. Sensitivity analyses of uptake coefficients
show that the empirical uptake coefficient for the O3 heterogeneous
reaction with chlorinated particles may lead to the large uncertainties in
the predicted Cl2 and nitrate concentrations. The N2O5
uptake coefficient with particulate Cl− concentration dependence
performs better in capturing the concentration of ClNO2 and nocturnal
nitrate concentration. The reaction of OH and NO2 in the daytime
increases the nitrate by ∼15 % when the heterogeneous chlorine
chemistry is incorporated, resulting in more nitrate formation from
HNO3 gas-to-particle partitioning. By contrast, the contribution of
the heterogeneous reaction of N2O5 to nitrate concentrations
decreases by about 27 % in the nighttime, when its reactions with
chlorinated particles are considered. However, the generated gas-phase
ClNO2 from the heterogeneous reaction of N2O5 and
chlorine-containing particles further reacts with the particle surface to
increase the nitrate by 6 %. In general, this study highlights the
potential of significant underestimation of daytime concentrations and overestimation of
nighttime nitrate concentrations for chemical transport models without proper
chlorine chemistry in the gas and particle phases.
</jats:p> |
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| author | Qiu, Xionghui, Ying, Qi, Wang, Shuxiao, Duan, Lei, Zhao, Jian, Xing, Jia, Ding, Dian, Sun, Yele, Liu, Baoxian, Shi, Aijun, Yan, Xiao, Xu, Qingcheng, Hao, Jiming |
| author_facet | Qiu, Xionghui, Ying, Qi, Wang, Shuxiao, Duan, Lei, Zhao, Jian, Xing, Jia, Ding, Dian, Sun, Yele, Liu, Baoxian, Shi, Aijun, Yan, Xiao, Xu, Qingcheng, Hao, Jiming, Qiu, Xionghui, Ying, Qi, Wang, Shuxiao, Duan, Lei, Zhao, Jian, Xing, Jia, Ding, Dian, Sun, Yele, Liu, Baoxian, Shi, Aijun, Yan, Xiao, Xu, Qingcheng, Hao, Jiming |
| author_sort | qiu, xionghui |
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| description | <jats:p>Abstract. Comprehensive chlorine heterogeneous chemistry is incorporated into the Community Multiscale Air Quality (CMAQ) model to evaluate the impact of chlorine-related heterogeneous reaction on diurnal and nocturnal nitrate formation and quantify the nitrate formation from gas-to-particle partitioning of HNO3 and from different heterogeneous pathways. The results show that these heterogeneous reactions increase the atmospheric Cl2 and ClNO2 level (∼ 100 %), which further affects the nitrate formation. Sensitivity analyses of uptake coefficients show that the empirical uptake coefficient for the O3 heterogeneous reaction with chlorinated particles may lead to the large uncertainties in the predicted Cl2 and nitrate concentrations. The N2O5 uptake coefficient with particulate Cl− concentration dependence performs better in capturing the concentration of ClNO2 and nocturnal nitrate concentration. The reaction of OH and NO2 in the daytime increases the nitrate by ∼15 % when the heterogeneous chlorine chemistry is incorporated, resulting in more nitrate formation from HNO3 gas-to-particle partitioning. By contrast, the contribution of the heterogeneous reaction of N2O5 to nitrate concentrations decreases by about 27 % in the nighttime, when its reactions with chlorinated particles are considered. However, the generated gas-phase ClNO2 from the heterogeneous reaction of N2O5 and chlorine-containing particles further reacts with the particle surface to increase the nitrate by 6 %. In general, this study highlights the potential of significant underestimation of daytime concentrations and overestimation of nighttime nitrate concentrations for chemical transport models without proper chlorine chemistry in the gas and particle phases. </jats:p> |
| doi_str_mv | 10.5194/acp-19-6737-2019 |
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| imprint_str_mv | Copernicus GmbH, 2019 |
| institution | DE-Gla1, DE-Zi4, DE-15, DE-Pl11, DE-Rs1, DE-105, DE-14, DE-Ch1, DE-L229, DE-D275, DE-Bn3, DE-Brt1, DE-Zwi2, DE-D161 |
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| spelling | Qiu, Xionghui Ying, Qi Wang, Shuxiao Duan, Lei Zhao, Jian Xing, Jia Ding, Dian Sun, Yele Liu, Baoxian Shi, Aijun Yan, Xiao Xu, Qingcheng Hao, Jiming 1680-7324 Copernicus GmbH Atmospheric Science http://dx.doi.org/10.5194/acp-19-6737-2019 <jats:p>Abstract. Comprehensive chlorine heterogeneous chemistry is incorporated into the Community Multiscale Air Quality (CMAQ) model to evaluate the impact of chlorine-related heterogeneous reaction on diurnal and nocturnal nitrate formation and quantify the nitrate formation from gas-to-particle partitioning of HNO3 and from different heterogeneous pathways. The results show that these heterogeneous reactions increase the atmospheric Cl2 and ClNO2 level (∼ 100 %), which further affects the nitrate formation. Sensitivity analyses of uptake coefficients show that the empirical uptake coefficient for the O3 heterogeneous reaction with chlorinated particles may lead to the large uncertainties in the predicted Cl2 and nitrate concentrations. The N2O5 uptake coefficient with particulate Cl− concentration dependence performs better in capturing the concentration of ClNO2 and nocturnal nitrate concentration. The reaction of OH and NO2 in the daytime increases the nitrate by ∼15 % when the heterogeneous chlorine chemistry is incorporated, resulting in more nitrate formation from HNO3 gas-to-particle partitioning. By contrast, the contribution of the heterogeneous reaction of N2O5 to nitrate concentrations decreases by about 27 % in the nighttime, when its reactions with chlorinated particles are considered. However, the generated gas-phase ClNO2 from the heterogeneous reaction of N2O5 and chlorine-containing particles further reacts with the particle surface to increase the nitrate by 6 %. In general, this study highlights the potential of significant underestimation of daytime concentrations and overestimation of nighttime nitrate concentrations for chemical transport models without proper chlorine chemistry in the gas and particle phases. </jats:p> Modeling the impact of heterogeneous reactions of chlorine on summertime nitrate formation in Beijing, China Atmospheric Chemistry and Physics |
| spellingShingle | Qiu, Xionghui, Ying, Qi, Wang, Shuxiao, Duan, Lei, Zhao, Jian, Xing, Jia, Ding, Dian, Sun, Yele, Liu, Baoxian, Shi, Aijun, Yan, Xiao, Xu, Qingcheng, Hao, Jiming, Atmospheric Chemistry and Physics, Modeling the impact of heterogeneous reactions of chlorine on summertime nitrate formation in Beijing, China, Atmospheric Science |
| title | Modeling the impact of heterogeneous reactions of chlorine on summertime nitrate formation in Beijing, China |
| title_full | Modeling the impact of heterogeneous reactions of chlorine on summertime nitrate formation in Beijing, China |
| title_fullStr | Modeling the impact of heterogeneous reactions of chlorine on summertime nitrate formation in Beijing, China |
| title_full_unstemmed | Modeling the impact of heterogeneous reactions of chlorine on summertime nitrate formation in Beijing, China |
| title_short | Modeling the impact of heterogeneous reactions of chlorine on summertime nitrate formation in Beijing, China |
| title_sort | modeling the impact of heterogeneous reactions of chlorine on summertime nitrate formation in beijing, china |
| title_unstemmed | Modeling the impact of heterogeneous reactions of chlorine on summertime nitrate formation in Beijing, China |
| topic | Atmospheric Science |
| url | http://dx.doi.org/10.5194/acp-19-6737-2019 |