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The nucleation mechanism of succinic acid involved sulfuric acid - Dimethylamine in new particle formation.

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Title: The nucleation mechanism of succinic acid involved sulfuric acid - Dimethylamine in new particle formation.
Authors: Wang, Zhong-Quan1,2,3 (AUTHOR), Liu, Yi-Rong1,2 (AUTHOR) yrliu@ustc.edu.cn, Wang, Chun-Yu2 (AUTHOR), Jiang, Shuai2 (AUTHOR), Feng, Ya-Juan2 (AUTHOR), Huang, Teng1 (AUTHOR), Huang, Wei1,2,4 (AUTHOR) huangwei6@ustc.edu.cn
Source: Atmospheric Environment. Oct2021, Vol. 263, pN.PAG-N.PAG. 1p.
Subjects: Succinic acid, Sulfuric acid, Organic acids, Nucleation, Rate of nucleation, Molecular structure, Dicarboxylic acids
Abstract: Succinic acid (SUA) is a common dicarboxylic acid frequently observed in aerosols. Understanding the role of succinic acid in atmospheric new particle formation is essential to study the complicated nucleation mechanism. In this study, high-precision quantum chemical calculations and atmospheric clusters dynamic code (ACDC) simulations are used to investigate the nucleation mechanism of the (SA) x (SUA) y (DMA) z (0 = x, y, z ≤ 3) multicomponent system. The most stable molecular structures show that SUA can form relatively stable clusters with the SA-DMA system by hydrogen bond and proton-transfer interactions. Similar to SA molecules, SUA can provide protons to DMA when excess DMA molecules are available. ACDC simulations indicate that SUA can contribute to the cluster formation, especially at low sulfuric acid concentration and high succinic acid concentration. Moreover, the main cluster flux out of the SUA-containing system is along the non-diagonal (the number of acid molecules is greater than that of base molecules), which is different from the pure SA-DMA system. These clusters are stable enough to be present at a fairly high concentration, and could be a platform for growth into the larger sizes. This organic acid involved cluster formation may explain high nucleation rate at low sulfuric acid concentration and high organic acid concentration. • SUA may play an important role in particle formation and growth. • The SUA molecule is similar to the SA molecule in providing protons to DMA. • The nucleation mechanism may explain high nucleation rate at low sulfuric acid concentration. [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.)
Database: Engineering Source
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DbLabel: Engineering Source
An: 152160774
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PubType: Academic Journal
PubTypeId: academicJournal
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  Data: The nucleation mechanism of succinic acid involved sulfuric acid - Dimethylamine in new particle formation.
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  Data: <searchLink fieldCode="AR" term="%22Wang%2C+Zhong-Quan%22">Wang, Zhong-Quan</searchLink><relatesTo>1,2,3</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Liu%2C+Yi-Rong%22">Liu, Yi-Rong</searchLink><relatesTo>1,2</relatesTo> (AUTHOR)<i> yrliu@ustc.edu.cn</i><br /><searchLink fieldCode="AR" term="%22Wang%2C+Chun-Yu%22">Wang, Chun-Yu</searchLink><relatesTo>2</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Jiang%2C+Shuai%22">Jiang, Shuai</searchLink><relatesTo>2</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Feng%2C+Ya-Juan%22">Feng, Ya-Juan</searchLink><relatesTo>2</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Huang%2C+Teng%22">Huang, Teng</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Huang%2C+Wei%22">Huang, Wei</searchLink><relatesTo>1,2,4</relatesTo> (AUTHOR)<i> huangwei6@ustc.edu.cn</i>
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  Data: <searchLink fieldCode="JN" term="%22Atmospheric+Environment%22">Atmospheric Environment</searchLink>. Oct2021, Vol. 263, pN.PAG-N.PAG. 1p.
– Name: Subject
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  Data: <searchLink fieldCode="DE" term="%22Succinic+acid%22">Succinic acid</searchLink><br /><searchLink fieldCode="DE" term="%22Sulfuric+acid%22">Sulfuric acid</searchLink><br /><searchLink fieldCode="DE" term="%22Organic+acids%22">Organic acids</searchLink><br /><searchLink fieldCode="DE" term="%22Nucleation%22">Nucleation</searchLink><br /><searchLink fieldCode="DE" term="%22Rate+of+nucleation%22">Rate of nucleation</searchLink><br /><searchLink fieldCode="DE" term="%22Molecular+structure%22">Molecular structure</searchLink><br /><searchLink fieldCode="DE" term="%22Dicarboxylic+acids%22">Dicarboxylic acids</searchLink>
– Name: Abstract
  Label: Abstract
  Group: Ab
  Data: Succinic acid (SUA) is a common dicarboxylic acid frequently observed in aerosols. Understanding the role of succinic acid in atmospheric new particle formation is essential to study the complicated nucleation mechanism. In this study, high-precision quantum chemical calculations and atmospheric clusters dynamic code (ACDC) simulations are used to investigate the nucleation mechanism of the (SA) x (SUA) y (DMA) z (0 = x, y, z ≤ 3) multicomponent system. The most stable molecular structures show that SUA can form relatively stable clusters with the SA-DMA system by hydrogen bond and proton-transfer interactions. Similar to SA molecules, SUA can provide protons to DMA when excess DMA molecules are available. ACDC simulations indicate that SUA can contribute to the cluster formation, especially at low sulfuric acid concentration and high succinic acid concentration. Moreover, the main cluster flux out of the SUA-containing system is along the non-diagonal (the number of acid molecules is greater than that of base molecules), which is different from the pure SA-DMA system. These clusters are stable enough to be present at a fairly high concentration, and could be a platform for growth into the larger sizes. This organic acid involved cluster formation may explain high nucleation rate at low sulfuric acid concentration and high organic acid concentration. • SUA may play an important role in particle formation and growth. • The SUA molecule is similar to the SA molecule in providing protons to DMA. • The nucleation mechanism may explain high nucleation rate at low sulfuric acid concentration. [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:
  BibEntity:
    Identifiers:
      – Type: doi
        Value: 10.1016/j.atmosenv.2021.118683
    Languages:
      – Code: eng
        Text: English
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      Pagination:
        PageCount: 1
        StartPage: N.PAG
    Subjects:
      – SubjectFull: Succinic acid
        Type: general
      – SubjectFull: Sulfuric acid
        Type: general
      – SubjectFull: Organic acids
        Type: general
      – SubjectFull: Nucleation
        Type: general
      – SubjectFull: Rate of nucleation
        Type: general
      – SubjectFull: Molecular structure
        Type: general
      – SubjectFull: Dicarboxylic acids
        Type: general
    Titles:
      – TitleFull: The nucleation mechanism of succinic acid involved sulfuric acid - Dimethylamine in new particle formation.
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          Name:
            NameFull: Wang, Zhong-Quan
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            NameFull: Liu, Yi-Rong
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            NameFull: Wang, Chun-Yu
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            NameFull: Jiang, Shuai
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            NameFull: Feng, Ya-Juan
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            – D: 15
              M: 10
              Text: Oct2021
              Type: published
              Y: 2021
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              Value: 13522310
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              Value: 263
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            – TitleFull: Atmospheric Environment
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