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<front>
<journal-meta>
<journal-id journal-id-type="publisher">ACPD</journal-id>
<journal-title-group>
<journal-title>Atmospheric Chemistry and Physics Discussions</journal-title>
<abbrev-journal-title abbrev-type="publisher">ACPD</abbrev-journal-title>
<abbrev-journal-title abbrev-type="nlm-ta">Atmos. Chem. Phys. Discuss.</abbrev-journal-title>
</journal-title-group>
<issn pub-type="epub">1680-7375</issn>
<publisher><publisher-name></publisher-name>
<publisher-loc>Göttingen, Germany</publisher-loc>
</publisher>
</journal-meta>
<article-meta>
<article-id pub-id-type="doi">10.5194/acp-2020-1329</article-id>
<title-group>
<article-title>Energetic analysis of succinic acid in water droplets: insight into the
size-dependent solubility of atmospheric nanoparticles</article-title>
</title-group>
<contrib-group><contrib contrib-type="author" xlink:type="simple"><name name-style="western"><surname>Chen</surname>
<given-names>Chuchu</given-names>
</name>
<xref ref-type="aff" rid="aff1">
<sup>1</sup>
</xref>
<xref ref-type="aff" rid="aff2">
<sup>2</sup>
</xref>
</contrib>
<contrib contrib-type="author" xlink:type="simple"><name name-style="western"><surname>Wang</surname>
<given-names>Xiaoxiang</given-names>
</name>
<xref ref-type="aff" rid="aff1">
<sup>1</sup>
</xref>
<xref ref-type="aff" rid="aff6">
<sup>6</sup>
</xref>
</contrib>
<contrib contrib-type="author" xlink:type="simple"><name name-style="western"><surname>Binder</surname>
<given-names>Kurt</given-names>
</name>
<xref ref-type="aff" rid="aff3">
<sup>3</sup>
</xref>
</contrib>
<contrib contrib-type="author" xlink:type="simple"><name name-style="western"><surname>Ghahremanpour</surname>
<given-names>Mohammad Mehdi</given-names>
</name>
<xref ref-type="aff" rid="aff4">
<sup>4</sup>
</xref>
<xref ref-type="aff" rid="aff5">
<sup>5</sup>
</xref>
</contrib>
<contrib contrib-type="author" xlink:type="simple"><name name-style="western"><surname>van der Spoel</surname>
<given-names>David</given-names>
</name>
<xref ref-type="aff" rid="aff4">
<sup>4</sup>
</xref>
</contrib>
<contrib contrib-type="author" xlink:type="simple"><name name-style="western"><surname>Pöschl</surname>
<given-names>Ulrich</given-names>
<ext-link>https://orcid.org/0000-0003-1412-3557</ext-link>
</name>
<xref ref-type="aff" rid="aff2">
<sup>2</sup>
</xref>
</contrib>
<contrib contrib-type="author" xlink:type="simple"><name name-style="western"><surname>Su</surname>
<given-names>Hang</given-names>
<ext-link>https://orcid.org/0000-0003-4889-1669</ext-link>
</name>
<xref ref-type="aff" rid="aff2">
<sup>2</sup>
</xref>
</contrib>
<contrib contrib-type="author" xlink:type="simple"><name name-style="western"><surname>Cheng</surname>
<given-names>Yafang</given-names>
<ext-link>https://orcid.org/0000-0003-4912-9879</ext-link>
</name>
<xref ref-type="aff" rid="aff1">
<sup>1</sup>
</xref>
</contrib>
</contrib-group><aff id="aff1">
<label>1</label>
<addr-line>Minerva Research Group, Max Planck Institute for Chemistry, Hahn-Meitner-Weg 5, 55128 Mainz, Germany</addr-line>
</aff>
<aff id="aff2">
<label>2</label>
<addr-line>Multiphase Chemistry Department, Max Planck Institute for Chemistry, Hahn-Meitner-Weg 1, 55128 Mainz, Germany</addr-line>
</aff>
<aff id="aff3">
<label>3</label>
<addr-line>Institute of Physics, Johannes Gutenberg University of Mainz, Staudinger Weg 7, 55128 Mainz, Germany</addr-line>
</aff>
<aff id="aff4">
<label>4</label>
<addr-line>Department of Cell and Molecular Biology, Uppsala University, Husargatan 3, Box 596, SE-75124 Uppsala, Sweden</addr-line>
</aff>
<aff id="aff5">
<label>5</label>
<addr-line>Department of Chemistry, Yale University, New Haven, CT 06520-8107, USA</addr-line>
</aff>
<aff id="aff6">
<label>6</label>
<addr-line>School of Environmental Science and Engineering, Southern University of Science and Technology, 518055 Shenzhen, P. R. China</addr-line>
</aff>
<pub-date pub-type="epub">
<day>04</day>
<month>02</month>
<year>2021</year>
</pub-date>
<volume>2021</volume>
<fpage>1</fpage>
<lpage>19</lpage>
<permissions>
<copyright-statement>Copyright: &#x000a9; 2021 Chuchu Chen et al.</copyright-statement>
<copyright-year>2021</copyright-year>
<license license-type="open-access">
<license-p>This work is licensed under the Creative Commons Attribution 4.0 International License. To view a copy of this licence, visit <ext-link ext-link-type="uri"  xlink:href="https://creativecommons.org/licenses/by/4.0/">https://creativecommons.org/licenses/by/4.0/</ext-link></license-p>
</license>
</permissions>
<self-uri xlink:href="https://acp.copernicus.org/preprints/acp-2020-1329/">This article is available from https://acp.copernicus.org/preprints/acp-2020-1329/</self-uri>
<self-uri xlink:href="https://acp.copernicus.org/preprints/acp-2020-1329/acp-2020-1329.pdf">The full text article is available as a PDF file from https://acp.copernicus.org/preprints/acp-2020-1329/acp-2020-1329.pdf</self-uri>
<abstract>
<p>Size-dependent solubility is prevalent in atmospheric nanoparticles, but a molecular level understanding is still insufficient, especially for organic compounds. Here, we performed molecular dynamics simulations to investigate the size dependence of succinic acid solvation on the scale of ~1&amp;ndash;4&amp;thinsp;nm with the potential of mean forces method. Our analyses reveal that the surface preference of succinic acid is stronger for a droplet than the slab of the same size, and the surface propensity is enhanced due to the curvature effect as the droplet becomes smaller. Energetic analyses show that such surface preference is primarily an enthalpic effect in both systems, while the entropic effect further enhances the surface propensity in droplets. On the other hand, with decreasing droplet size, the solubility of succinic acid in the internal bulk volume may decrease, imposing an opposite effect on the size dependence of solubility as compared with the enhanced surface propensity. Meanwhile, structural analyses, however, show that the surface to internal bulk volume ratio increases drastically, especially when considering the surface in respect to succinic acid, e.g., for droplet with radius of 1&amp;thinsp;nm, the internal bulk volume would be already close to zero for the succinic acid molecule.</p>
</abstract>
<counts><page-count count="19"/></counts>
</article-meta>
</front>
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