<?xml version="1.0" encoding="UTF-8"?>
<!DOCTYPE article PUBLIC "-//NLM//DTD Journal Publishing DTD v3.0 20080202//EN" "http://dtd.nlm.nih.gov/publishing/3.0/journalpublishing3.dtd">
<article xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink" article-type="research-article" dtd-version="3.0" xml:lang="en">
<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>
</journal-title-group>
<issn pub-type="epub">1680-7375</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/acpd-5-2193-2005</article-id>
<title-group>
<article-title>Kinetic model framework for aerosol and cloud surface chemistry and gas-particle interactions: Part 2 &amp;ndash; exemplary practical applications and numerical simulations</article-title>
</title-group>
<contrib-group><contrib contrib-type="author" xlink:type="simple"><name name-style="western"><surname>Ammann</surname>
<given-names>M.</given-names>
</name>
<xref ref-type="aff" rid="aff1">
<sup>1</sup>
</xref>
</contrib>
<contrib contrib-type="author" xlink:type="simple"><name name-style="western"><surname>Pöschl</surname>
<given-names>U.</given-names>
</name>
<xref ref-type="aff" rid="aff2">
<sup>2</sup>
</xref>
</contrib>
</contrib-group><aff id="aff1">
<label>1</label>
<addr-line>Paul Scherrer Institute, CH-5232 Villigen PSI, Switzerland</addr-line>
</aff>
<aff id="aff2">
<label>2</label>
<addr-line>Technical University of Munich, Institute of Hydrochemistry, Marchioninistr. 17, D-81377 Munich, Germany</addr-line>
</aff>
<pub-date pub-type="epub">
<day>11</day>
<month>04</month>
<year>2005</year>
</pub-date>
<volume>5</volume>
<issue>2</issue>
<fpage>2193</fpage>
<lpage>2246</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-discuss.net/5/2193/2005/acpd-5-2193-2005.html">This article is available from http://www.atmos-chem-phys-discuss.net/5/2193/2005/acpd-5-2193-2005.html</self-uri>
<self-uri xlink:href="http://www.atmos-chem-phys-discuss.net/5/2193/2005/acpd-5-2193-2005.pdf">The full text article is available as a PDF file from http://www.atmos-chem-phys-discuss.net/5/2193/2005/acpd-5-2193-2005.pdf</self-uri>
<abstract>
<p>A kinetic model framework with consistent and unambiguous terminology and
universally applicable rate equations and parameters for aerosol and
cloud surface chemistry and gas-particle interactions has been
presented in the preceding companion paper by P&amp;#246;schl, Rudich and Ammann
(P&amp;#246;schl et al., 2005), abbreviated PRA. It allows to describe mass transport and chemical
reaction at the gas-particle interface and to link aerosol and cloud surface
processes with gas phase and particle bulk processes. Here we present
multiple exemplary model systems and calculations illustrating how the
general mass balance and rate equations of the PRA framework can be easily
reduced to compact sets of equations which enable a mechanistic description
of time and concentration dependencies of trace gas uptake and particle
composition in systems with one or more chemical components and
physicochemical processes.
&lt;br&gt;&lt;br&gt;
Time-dependent model scenarios show the effects of reversible adsorption,
surface-bulk transport, and chemical aging on the temporal evolution of
trace gas uptake by solid particles and solubility saturation of liquid
particles. They demonstrate, how the transformation of particles and the
variation of trace gas accommodation and uptake coefficients by orders of
magnitude over time scales of microseconds to days can be explained and
predicted from the initial composition and basic kinetic parameters of model
systems by iterative calculations using standard spreadsheet programs.
Moreover, they show how apparently inconsistent experimental data sets
obtained with different techniques and on different time scales can be
efficiently linked and mechanistically explained by application of
consistent model formalisms and terminologies within the PRA framework.
&lt;br&gt;&lt;br&gt;
Steady-state model scenarios illustrate characteristic effects of gas phase
composition and basic kinetic parameters on the rates of mass transport and
chemical reactions. They demonstrate how adsorption and surface saturation
effects can explain non-linear gas phase concentration dependencies of
surface and bulk accommodation coefficients, uptake coefficients, and bulk
solubilities (deviations from Henry&apos;s law). Such effects are expected to
play an important role in many real atmospheric aerosol and cloud systems
involving a wide range of organic and inorganic components of concentrated
aqueous and organic solution droplets, ice crystals, and other crystalline
or amorphous solid particles.
&lt;br&gt;&lt;br&gt;
We hope that the presented model systems and simulations clearly demonstrate
the universal applicability and consistency of the PRA framework as a tool
and common basis for experimental and theoretical studies investigating and
describing atmospheric aerosol and cloud surface chemistry and gas-particle
interactions.</p>
</abstract>
<counts><page-count count="54"/></counts>
</article-meta>
</front>
<body/>
<back>
</back>
</article>