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<front>
<journal-meta>
<journal-id journal-id-type="publisher">ACP</journal-id>
<journal-title-group>
<journal-title>Atmospheric Chemistry and Physics</journal-title>
<abbrev-journal-title abbrev-type="publisher">ACP</abbrev-journal-title>
</journal-title-group>
<issn pub-type="epub">1680-7324</issn>
<publisher><publisher-name>Copernicus GmbH</publisher-name>
<publisher-loc>Göttingen, Germany</publisher-loc>
</publisher>
</journal-meta>
<article-meta>
<article-id pub-id-type="doi">10.5194/acp-10-4033-2010</article-id>
<title-group>
<article-title>A detailed aerosol mixing state model for investigating interactions between mixing state, semivolatile partitioning, and coagulation</article-title>
</title-group>
<contrib-group><contrib contrib-type="author" xlink:type="simple"><name name-style="western"><surname>Lu</surname>
<given-names>J.</given-names>
</name>
<xref ref-type="aff" rid="aff1">
<sup>1</sup>
</xref>
<xref ref-type="aff" rid="aff3">
<sup>3</sup>
</xref>
</contrib>
<contrib contrib-type="author" xlink:type="simple"><name name-style="western"><surname>Bowman</surname>
<given-names>F. M.</given-names>
</name>
<xref ref-type="aff" rid="aff2">
<sup>2</sup>
</xref>
</contrib>
</contrib-group><aff id="aff1">
<label>1</label>
<addr-line>Department of Chemical Engineering, Vanderbilt University, Nashville, Tennessee, USA</addr-line>
</aff>
<aff id="aff2">
<label>2</label>
<addr-line>Department of Chemical Engineering, University of North Dakota, Grand Forks, North Dakota, USA</addr-line>
</aff>
<aff id="aff3">
<label>3</label>
<addr-line>now at: Planning and Technical Support Division, California Air Resources Board, Sacramento, California, USA</addr-line>
</aff>
<pub-date pub-type="epub">
<day>29</day>
<month>04</month>
<year>2010</year>
</pub-date>
<volume>10</volume>
<issue>8</issue>
<fpage>4033</fpage>
<lpage>4046</lpage>
<permissions>
<license xlink:type="simple">
<license-p>This is an open-access article ditributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited.</license-p>
</license>
</permissions>
<self-uri xlink:href="http://www.atmos-chem-phys.net/10/4033/2010/acp-10-4033-2010.html">This article is available from http://www.atmos-chem-phys.net/10/4033/2010/acp-10-4033-2010.html</self-uri>
<self-uri xlink:href="http://www.atmos-chem-phys.net/10/4033/2010/acp-10-4033-2010.pdf">The full text article is available as a PDF file from http://www.atmos-chem-phys.net/10/4033/2010/acp-10-4033-2010.pdf</self-uri>
<abstract>
<p>A new method for describing externally mixed particles, the Detailed Aerosol
Mixing State (DAMS) representation, is presented in this study. This novel
method classifies aerosols by both composition and size, using a
user-specified mixing criterion to define boundaries between compositional
populations. Interactions between aerosol mixing state, semivolatile
partitioning, and coagulation are investigated with a Lagrangian box model
that incorporates the DAMS approach. Model results predict that mixing state
affects the amount and types of semivolatile organics that partition to
available aerosol phases, causing external mixtures to produce a more
size-varying composition than internal mixtures. Both coagulation and
condensation contribute to the mixing of emitted particles, producing a
collection of multiple compositionally distinct aerosol populations that
exists somewhere between the extremes of a strictly external or internal
mixture. The selection of mixing criteria has a significant impact on the
size and type of individual populations that compose the modeled aerosol
mixture. Computational demands for external mixture modeling are significant
and can be controlled by limiting the number of aerosol populations used in
the model.</p>
</abstract>
<counts><page-count count="14"/></counts>
</article-meta>
</front>
<body/>
<back>
<ref-list>
<title>References</title>
<ref id="ref1">
<label>1</label><mixed-citation publication-type="other" xlink:type="simple">Bhave, P. V., Kleeman, M. J., Allen, J. O., and Hughes, L. S.: Evaluation of an air quality model for the size and composition of source-oriented particle classes, Environ. Sci. Technol., 36, 2154–2163, 2002. </mixed-citation>
</ref>
<ref id="ref2">
<label>2</label><mixed-citation publication-type="other" xlink:type="simple">Binkowski, F. S. and Roselle, S. J.: Models-3 community multiscale air quality (CMAQ) model aerosol component – 1. Model description, J. Geophys. Res., 108(D6), 4183, doi:10.1029/2001JD001409, 2003. </mixed-citation>
</ref>
<ref id="ref3">
<label>3</label><mixed-citation publication-type="other" xlink:type="simple">Bowman, F. M., Odum, J. R., Seinfeld, J. H., and Pandis, S. N.: Mathematical model for gas-particle partitioning of secondary organic aerosols, Atmos. Environ., 31, 3921–3931, 1997. </mixed-citation>
</ref>
<ref id="ref4">
<label>4</label><mixed-citation publication-type="other" xlink:type="simple">Bowman, F. M. and Karamalegos, A. M.: Estimated effects of composition on secondary organic aerosol mass concentrations, Environ. Sci. Technol., 36, 2701–2707, 2002. </mixed-citation>
</ref>
<ref id="ref5">
<label>5</label><mixed-citation publication-type="other" xlink:type="simple">Bowman, F. M. and Melton, J. A.: Effect of activity coefficient models on predictions of secondary organic aerosol partitioning, J. Aerosol Sci., 35, 1415–1438, 2004. </mixed-citation>
</ref>
<ref id="ref6">
<label>6</label><mixed-citation publication-type="other" xlink:type="simple">Broekhuizen, K., Kumar, P. P., and Abbatt, J. P. D.: Partially soluble organics as cloud condensation nuclei: Role of trace soluble and surface active species, Geophys. Res. Lett., 31, L01107, doi:10.1029/2003GL018203, 2004. </mixed-citation>
</ref>
<ref id="ref7">
<label>7</label><mixed-citation publication-type="other" xlink:type="simple">Chow, J. C., Watson, J. G., Kuhns, H., Etyemezian, V., Lowenthal, D. H., Crow, D., Kohl, S. D., Engelbrecht, J. P., and Green, M. C.: Source profiles for industrial, mobile, and area sources in the Big Bend Regional Aerosol Visibility and Observational study, Chemosphere, 54, 185–208, 2004. </mixed-citation>
</ref>
<ref id="ref8">
<label>8</label><mixed-citation publication-type="other" xlink:type="simple">Chow, J. C., Watson, J. G., Lowenthal, D. H., Chen, L. W. A., Zielinska, B., Mazzoleni, L. R., and Magliano, K. L.: Evaluation of organic markers for chemical mass balance source apportionment at the Fresno Supersite, Atmos. Chem. Phys., 7, 1741–1754, 2007. </mixed-citation>
</ref>
<ref id="ref9">
<label>9</label><mixed-citation publication-type="other" xlink:type="simple">Corrigan, C. E. and Novakov, T.: Cloud condensation nucleus activity of organic compounds: a laboratory study, Atmos. Environ., 33, 2661–2668, 1999. </mixed-citation>
</ref>
<ref id="ref10">
<label>10</label><mixed-citation publication-type="other" xlink:type="simple">FassiFihri, A., Suhre, K., and Rosset, R.: Internal and external mixing in atmospheric aerosols by coagulation: Impact on the optical and hygroscopic properties of the sulphate-soot system, Atmos. Environ., 31, 1393–1402, 1997. </mixed-citation>
</ref>
<ref id="ref11">
<label>11</label><mixed-citation publication-type="other" xlink:type="simple">Griffin, R. J., Nguyen, K., Dabdub, D., and Seinfeld, J. H.: A coupled hydrophobic-hydrophilic model for predicting secondary organic aerosol formation, J. Atmos. Chem., 44, 171–190, 2003. </mixed-citation>
</ref>
<ref id="ref12">
<label>12</label><mixed-citation publication-type="other" xlink:type="simple">Hasegawa, S. and Ohta, S.: Some measurements of the mixing state of soot-containing particles at urban and non-urban sites, Atmos. Environ., 36, 3899–3908, 2002. </mixed-citation>
</ref>
<ref id="ref13">
<label>13</label><mixed-citation publication-type="other" xlink:type="simple">Hindmarsh, A. C.: ODEPACK, A systemized collection of ODE solvers, in: Scientific Computing, edited by: Stepleman, R. S., Carver, M., Peskin, R., Ames, W. F., Vichnevetsky, R., North-Holland, Amsterdam, 55–64, 1983. </mixed-citation>
</ref>
<ref id="ref14">
<label>14</label><mixed-citation publication-type="other" xlink:type="simple">Jacobson, M. Z., Turco, R. P., Jensen, E. J., and Toon, O. B.: Modeling coagulation among particles of different composition and size, Atmos. Environ., 28, 1327–1338, 1994. </mixed-citation>
</ref>
<ref id="ref15">
<label>15</label><mixed-citation publication-type="other" xlink:type="simple">Jacobson, M. Z.: Development and application of a new air pollution modeling system – II. Aerosol module structure and design, Atmos. Environ., 31, 131–144, 1997a. </mixed-citation>
</ref>
<ref id="ref16">
<label>16</label><mixed-citation publication-type="other" xlink:type="simple">Jacobson, M. Z.: Fundamentals of Atmospheric Modeling, Cambridge University, New York, 1997b. </mixed-citation>
</ref>
<ref id="ref17">
<label>17</label><mixed-citation publication-type="other" xlink:type="simple">Jacobson, M. Z.: Strong radiative heating due to the mixing state of black carbon in atmospheric aerosols, Nature, 409, 695–697, 2001. </mixed-citation>
</ref>
<ref id="ref18">
<label>18</label><mixed-citation publication-type="other" xlink:type="simple">Jacobson, M. Z.: Analysis of aerosol interactions with numerical techniques for solving coagulation, nucleation, condensation, dissolution, and reversible chemistry among multiple size distributions, J. Geophys. Res., 107(D19), 4366, doi:4310.1029/2001JD002044, 2002. </mixed-citation>
</ref>
<ref id="ref19">
<label>19</label><mixed-citation publication-type="other" xlink:type="simple">Jung, C. H. and Kim, Y. P.: Numerical estimation of the effects of condensation and coagulation on visibility using the moment method, J. Aerosol Sci., 37, 143–161, 2006. </mixed-citation>
</ref>
<ref id="ref20">
<label>20</label><mixed-citation publication-type="other" xlink:type="simple">Kleeman, M. J., Cass, G. R., and Eldering, A.: Modeling the airborne particle complex as a source-oriented external mixture, J. Geophys. Res., 102, 21355–21372, 1997. </mixed-citation>
</ref>
<ref id="ref21">
<label>21</label><mixed-citation publication-type="other" xlink:type="simple">Lesins, G., Chylek, P., and Lohmann, U.: A study of internal and external mixing scenarios and its effect on aerosol optical properties and direct radiative forcing, J. Geophys. Res., 107(D10), 4094, doi:10.1029/2001JD000973, 2002. </mixed-citation>
</ref>
<ref id="ref22">
<label>22</label><mixed-citation publication-type="other" xlink:type="simple">Naoe, H. and Okada, K.: Mixing properties of submicrometer aerosol particles in the urban atmosphere – with regard to soot particles, Atmos. Environ., 35, 5765–5772, 2001. </mixed-citation>
</ref>
<ref id="ref23">
<label>23</label><mixed-citation publication-type="other" xlink:type="simple">Pankow, J. F.: An absorption model of the gas/aerosol partitioning involved in the formation of secondary organic aerosol, Atmos. Environ., 28, 189–193, 1994a. </mixed-citation>
</ref>
<ref id="ref24">
<label>24</label><mixed-citation publication-type="other" xlink:type="simple">Pankow, J. F.: An absorption model of gas/particle partitioning of organic compounds in the atmosphere, Atmos. Environ., 28, 185–188, 1994b. </mixed-citation>
</ref>
<ref id="ref25">
<label>25</label><mixed-citation publication-type="other" xlink:type="simple">Pun, B. K., Wu, S. Y., and Seigneur, C.: Contribution of biogenic emissions to the formation of ozone and particulate matter in the eastern united states, Environ. Sci. Technol., 36, 3586–3596, 2002. </mixed-citation>
</ref>
<ref id="ref26">
<label>26</label><mixed-citation publication-type="other" xlink:type="simple">Riemer, N., West, M., Zaveri, R. A., and Easter, R. C.: Simulating the evolution of soot mixing state with a particle-resolved aerosol model, J. Geophys. Res., 114, D09202, doi:10.1029/2008JD011073, 2009. </mixed-citation>
</ref>
<ref id="ref27">
<label>27</label><mixed-citation publication-type="other" xlink:type="simple">Rogge, W. F., Hildemann, L. M., Mazurek, M. A., Cass, G. R., and Simoneit, B. R. T.: Sources of fine organic aerosol .2. Noncatalyst and catalyst-equipped automobiles and heavy-duty diesel trucks, Environ. Sci. Technol., 27, 636–651, 1993. </mixed-citation>
</ref>
<ref id="ref28">
<label>28</label><mixed-citation publication-type="other" xlink:type="simple">Schauer, J. J., Kleeman, M., Cass, G. R., and Simoneit, B. R. T.: Measurement of emissions from air pollution sources. 2. C1 through C30 organic compounds from medium duty diesel trucks, Environ. Sci. Technol., 33, 1578–1587, 1999. </mixed-citation>
</ref>
<ref id="ref29">
<label>29</label><mixed-citation publication-type="other" xlink:type="simple">Schauer, J. J., Kleeman, M., Cass, G. R., and Simoneit, B. R. T.: Measurement of emissions from air pollution sources. 3. C1-C29 organic compounds from fireplace combustion of wood, Environ. Sci. Technol., 35, 1716–1728, 2001. </mixed-citation>
</ref>
<ref id="ref30">
<label>30</label><mixed-citation publication-type="other" xlink:type="simple">Seinfeld, J. H. and Pandis, S. N.: Atmospheric Chemistry and Physics: From Air Pollution to Global Change, 2nd ed., John Wiley, New York, 1998. </mixed-citation>
</ref>
<ref id="ref31">
<label>31</label><mixed-citation publication-type="other" xlink:type="simple">Sheehan, P. E. and Bowman, F. M.: Estimated effects of temperature on secondary organic aerosol concentrations, Environ. Sci. Technol., 35, 2129–2135, 2001. </mixed-citation>
</ref>
<ref id="ref32">
<label>32</label><mixed-citation publication-type="other" xlink:type="simple">Wexler, A. and Seinfeld, J. H.: The distribution of ammonium salts among a size and composition dispersed aerosol, Atmos. Environ., 24A, 1231–1246, 1990. </mixed-citation>
</ref>
<ref id="ref33">
<label>33</label><mixed-citation publication-type="other" xlink:type="simple">Yao, X., Lau, N. T., Fang, M., and Chan, C. K.: Real-time observation of the transformation of ultrafine atmospheric particle modes, Aerosol Sci. Technol. 39, 831–841, doi:10.1080/02786820500295248, 2005. </mixed-citation>
</ref>
<ref id="ref34">
<label>34</label><mixed-citation publication-type="other" xlink:type="simple">Ying, Q., Mysliwiec, M., and Kleeman, M. J.: Source apportionment of visibility impairment using a three-dimensional source-oriented air quality model, Environ. Sci. Technol., 38, 1089–1101, 2004. </mixed-citation>
</ref>
<ref id="ref35">
<label>35</label><mixed-citation publication-type="other" xlink:type="simple">Ying, Q., Fraser, M. P., Griffin, R. J., Chen, J., and Kleeman, M. J.: Verification of a source-oriented externally mixed air quality model during a severe photochemical smog episode, Atmos. Environ., 41, 1521–1538, 2007. </mixed-citation>
</ref>
<ref id="ref36">
<label>36</label><mixed-citation publication-type="other" xlink:type="simple">Zaveri, R. A., Easter, R. C., Fast, J. D., and Peters, L. K.: Model for Simulating Aerosol Interactions and Chemistry (MOSAIC), J. Geophys. Res., 113, D13204, doi:10.1029/2007JD008782, 2008. </mixed-citation>
</ref>
<ref id="ref37">
<label>37</label><mixed-citation publication-type="other" xlink:type="simple">Zhang, K. M. and Wexler, A. S.: An asynchronous time-stepping (ATS) integrator for atmospheric applications: Aerosol dynamics, Atmos. Environ., 40, 4574–4588, 2006. </mixed-citation>
</ref>
</ref-list>
</back>
</article>