Formation of atmospheric molecular clusters consisting of methanesulfonic acid and sulfuric acid: Insights from flow tube experiments and cluster dynamics simulations.

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Title: Formation of atmospheric molecular clusters consisting of methanesulfonic acid and sulfuric acid: Insights from flow tube experiments and cluster dynamics simulations.
Authors: Wen, Hui1, Wang, Chun-Yu1, Wang, Zhong-Quan1, Hou, Xiao-Fei1, Han, Ya-Juan1, Liu, Yi-Rong2, Jiang, Shuai2, Huang, Teng1, Huang, Wei1,2,3 huangwei6@ustc.edu.cn
Source: Atmospheric Environment. Feb2019, Vol. 199, p380-390. 11p.
Subject Terms: *Aerosols, *Atmospheric pressure, Molecular clusters, Thermodynamics, Time-of-flight mass spectrometry
Abstract: Abstract In coastal regions and ocean areas, methanesulfonic acid (MSA; CH 3 SO 3 H) is present in considerable concentrations in the gas-phase and aerosols. It has been shown that MSA could contribute to growth and possibly form initial molecular cluster, which may lead to aerosol formation. However, quantitative concentrations and thermodynamic properties of MSA and sulfuric acid (SA; H 2 SO 4) in the presence of water (W; H 2 O) remain largely uncertain. In this study, flow tube reactor was used to investigate the effects of each reactant on new particle formation (NPF) in a multi-component system consisting of MSA, SA, and W. Particles were measured for different combinations of reactants. It showed that a different order for reactant addition led to different experimental results, where the added MSA vapor to the SA-W binary system presented an obvious bimodal structure, for ternary system with SA added to the MSA-W, the similar bimodal phenomenon was not observed. The composition of clusters in the air flow was further analyzed by the commercial Atmospheric Pressure Interface Time-of-Flight Mass Spectrometer (APi-TOF-MS, Tofwerk AG), which is equipped with a homemade chemical ionization (CI) source, mass peaks corresponding to clusters that contain smaller MSA or SA molecules were clearly observed, indicating that these clusters are exist and stable. In addition, quantum chemistry calculation-based evaporation rate values were applied in a cluster dynamics model to yield formation rates of 2.6 × 102 cm−3 s−1 and cluster concentrations under different simulation conditions. This study could provide some insight into how acids interact in the atmosphere. Highlights • Flow tube reactor was used to study the system consisting of MSA, SA, and W. • The composition of clusters in the mixture was analyzed by APi-TOF-MS. • ACDC model was applied to yield cluster concentrations and formation rates. • The study could provide insight into how acids interact in the atmosphere. [ABSTRACT FROM AUTHOR]
Copyright of Atmospheric Environment is the property of Pergamon Press - An Imprint of Elsevier Science and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)
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  Label: Title
  Group: Ti
  Data: Formation of atmospheric molecular clusters consisting of methanesulfonic acid and sulfuric acid: Insights from flow tube experiments and cluster dynamics simulations.
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  Data: <searchLink fieldCode="AR" term="%22Wen%2C+Hui%22">Wen, Hui</searchLink><relatesTo>1</relatesTo><br /><searchLink fieldCode="AR" term="%22Wang%2C+Chun-Yu%22">Wang, Chun-Yu</searchLink><relatesTo>1</relatesTo><br /><searchLink fieldCode="AR" term="%22Wang%2C+Zhong-Quan%22">Wang, Zhong-Quan</searchLink><relatesTo>1</relatesTo><br /><searchLink fieldCode="AR" term="%22Hou%2C+Xiao-Fei%22">Hou, Xiao-Fei</searchLink><relatesTo>1</relatesTo><br /><searchLink fieldCode="AR" term="%22Han%2C+Ya-Juan%22">Han, Ya-Juan</searchLink><relatesTo>1</relatesTo><br /><searchLink fieldCode="AR" term="%22Liu%2C+Yi-Rong%22">Liu, Yi-Rong</searchLink><relatesTo>2</relatesTo><br /><searchLink fieldCode="AR" term="%22Jiang%2C+Shuai%22">Jiang, Shuai</searchLink><relatesTo>2</relatesTo><br /><searchLink fieldCode="AR" term="%22Huang%2C+Teng%22">Huang, Teng</searchLink><relatesTo>1</relatesTo><br /><searchLink fieldCode="AR" term="%22Huang%2C+Wei%22">Huang, Wei</searchLink><relatesTo>1,2,3</relatesTo><i> huangwei6@ustc.edu.cn</i>
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  Data: <searchLink fieldCode="JN" term="%22Atmospheric+Environment%22">Atmospheric Environment</searchLink>. Feb2019, Vol. 199, p380-390. 11p.
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  Data: *<searchLink fieldCode="DE" term="%22Aerosols%22">Aerosols</searchLink><br />*<searchLink fieldCode="DE" term="%22Atmospheric+pressure%22">Atmospheric pressure</searchLink><br /><searchLink fieldCode="DE" term="%22Molecular+clusters%22">Molecular clusters</searchLink><br /><searchLink fieldCode="DE" term="%22Thermodynamics%22">Thermodynamics</searchLink><br /><searchLink fieldCode="DE" term="%22Time-of-flight+mass+spectrometry%22">Time-of-flight mass spectrometry</searchLink>
– Name: Abstract
  Label: Abstract
  Group: Ab
  Data: Abstract In coastal regions and ocean areas, methanesulfonic acid (MSA; CH 3 SO 3 H) is present in considerable concentrations in the gas-phase and aerosols. It has been shown that MSA could contribute to growth and possibly form initial molecular cluster, which may lead to aerosol formation. However, quantitative concentrations and thermodynamic properties of MSA and sulfuric acid (SA; H 2 SO 4) in the presence of water (W; H 2 O) remain largely uncertain. In this study, flow tube reactor was used to investigate the effects of each reactant on new particle formation (NPF) in a multi-component system consisting of MSA, SA, and W. Particles were measured for different combinations of reactants. It showed that a different order for reactant addition led to different experimental results, where the added MSA vapor to the SA-W binary system presented an obvious bimodal structure, for ternary system with SA added to the MSA-W, the similar bimodal phenomenon was not observed. The composition of clusters in the air flow was further analyzed by the commercial Atmospheric Pressure Interface Time-of-Flight Mass Spectrometer (APi-TOF-MS, Tofwerk AG), which is equipped with a homemade chemical ionization (CI) source, mass peaks corresponding to clusters that contain smaller MSA or SA molecules were clearly observed, indicating that these clusters are exist and stable. In addition, quantum chemistry calculation-based evaporation rate values were applied in a cluster dynamics model to yield formation rates of 2.6 × 102 cm−3 s−1 and cluster concentrations under different simulation conditions. This study could provide some insight into how acids interact in the atmosphere. Highlights • Flow tube reactor was used to study the system consisting of MSA, SA, and W. • The composition of clusters in the mixture was analyzed by APi-TOF-MS. • ACDC model was applied to yield cluster concentrations and formation rates. • The study could provide insight into how acids interact in the atmosphere. [ABSTRACT FROM AUTHOR]
– Name: AbstractSuppliedCopyright
  Label:
  Group: Ab
  Data: <i>Copyright of Atmospheric Environment is the property of Pergamon Press - An Imprint of Elsevier Science and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.)
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RecordInfo BibRecord:
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      – Type: doi
        Value: 10.1016/j.atmosenv.2018.11.043
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      – Code: eng
        Text: English
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        PageCount: 11
        StartPage: 380
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      – SubjectFull: Aerosols
        Type: general
      – SubjectFull: Atmospheric pressure
        Type: general
      – SubjectFull: Molecular clusters
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      – SubjectFull: Thermodynamics
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      – SubjectFull: Time-of-flight mass spectrometry
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      – TitleFull: Formation of atmospheric molecular clusters consisting of methanesulfonic acid and sulfuric acid: Insights from flow tube experiments and cluster dynamics simulations.
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              Text: Feb2019
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