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| Titel |
ISORROPIA II: a computationally efficient thermodynamic equilibrium model for K⁺–Ca²⁺–Mg²⁺–NH₄⁺–Na⁺–SO₄²⁻–NO₃⁻–Cl⁻–H₂O aerosol |
| VerfasserIn |
C. Fountoukis, A. Nenes |
| 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 ; 7, no. 17 ; Nr. 7, no. 17 (2007-09-13), S.4639-4659 |
| Datensatznummer |
250005189
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| Publikation (Nr.) |
 copernicus.org/acp-7-4639-2007.pdf |
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| Zusammenfassung |
| This study presents ISORROPIA II, a thermodynamic equilibrium model for the
K+–Ca2+–Mg2+–NH4+–Na+–SO42−–NO3−–Cl−–H2O aerosol system. A
comprehensive evaluation of its performance is conducted against water
uptake measurements for laboratory aerosol and predictions of the SCAPE2
thermodynamic module over a wide range of atmospherically relevant
conditions. The two models agree well, to within 13% for aerosol
water content and total PM mass, 16% for aerosol nitrate and 6% for
aerosol chloride and ammonium. Largest discrepancies were found under
conditions of low RH, primarily from differences in the treatment of water
uptake and solid state composition. In terms of computational speed,
ISORROPIA II was more than an order of magnitude faster
than SCAPE2, with robust and rapid convergence under all conditions. The
addition of crustal species does not slow down the thermodynamic
calculations (compared to the older ISORROPIA code) because of optimizations
in the activity coefficient calculation algorithm. Based on its
computational rigor and performance, ISORROPIA II appears to be a highly
attractive alternative for use in large scale air quality and atmospheric
transport models. |
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