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| Titel |
A new inorganic atmospheric aerosol phase equilibrium model (UHAERO) |
| VerfasserIn |
N. R. Amundson, A. Caboussat, J. W. He, A. V. Martynenko, V. B. Savarin, J. H. Seinfeld, K. Y. Yoo |
| Medientyp |
Artikel
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| Sprache |
Englisch
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| ISSN |
1680-7316
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| Digitales Dokument |
URL |
| Erschienen |
In: Atmospheric Chemistry and Physics ; 6, no. 4 ; Nr. 6, no. 4 (2006-03-28), S.975-992 |
| Datensatznummer |
250003625
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| Publikation (Nr.) |
 copernicus.org/acp-6-975-2006.pdf |
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| Zusammenfassung |
| A variety of thermodynamic models have been developed to predict inorganic
gas-aerosol equilibrium. To achieve computational efficiency a number of the
models rely on a priori specification of the phases present in certain
relative humidity regimes. Presented here is a new computational model, named
UHAERO, that is both efficient and rigorously computes phase behavior without
any a priori specification. The computational implementation is based on
minimization of the Gibbs free energy using a primal-dual method, coupled to
a Newton iteration. The mathematical details of the solution are given
elsewhere.
The model computes deliquescence behavior
without any a priori specification of the relative humidities of
deliquescence.
Also included in the model is a
formulation based on classical theory of nucleation kinetics that
predicts crystallization behavior.
Detailed phase diagrams of the
sulfate/nitrate/ammonium/water system are presented as a function of relative
humidity at 298.15 K over the complete space of composition. |
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