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Titolo:
A new lumped structure photochemical mechanism for large-scale applications
Autore:
Zaveri, RA; Peters, LE;
Indirizzi:
Pacific NW Natl Lab, Atmospher Sci Tech Grp, Richland, WA 99352 USA Pacific NW Natl Lab Richland WA USA 99352 ech Grp, Richland, WA 99352 USA Virginia Polytech Inst & State Univ, Dept Chem Engn, Blacksburg, VA 24061 USA Virginia Polytech Inst & State Univ Blacksburg VA USA 24061 VA 24061 USA
Titolo Testata:
JOURNAL OF GEOPHYSICAL RESEARCH-ATMOSPHERES
fascicolo: D23, volume: 104, anno: 1999,
pagine: 30387 - 30415
Fonte:
ISI
Lingua:
ENG
Soggetto:
GAS-PHASE REACTIONS; SMOG REACTION-MECHANISMS; VOLATILE ORGANIC-COMPOUNDS; TROPOSPHERIC SULFUR CYCLE; ACID DEPOSITION MODEL; ATMOSPHERIC CHEMISTRY; CHEMICAL MECHANISM; DETAILED MECHANISM; TRANSITORY PRODUCT; CARBONYL PRODUCTS;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Physical, Chemical & Earth Sciences
Citazioni:
68
Recensione:
Indirizzi per estratti:
Indirizzo: Zaveri, RA Pacific NW Natl Lab, Atmospher Sci Tech Grp, Richland, WA 99352USA Pacific NW Natl Lab Richland WA USA 99352 chland, WA 99352 USA
Citazione:
R.A. Zaveri e L.E. Peters, "A new lumped structure photochemical mechanism for large-scale applications", J GEO RES-A, 104(D23), 1999, pp. 30387-30415

Abstract

The lumped-structure approach for condensing organic chemical mechanisms is attractive, since it yields fewer species and reactions and reduces computational costs. This paper leads through the development of a new lumped-structure mechanism, largely based on the widely used Carbon Bond Mechanism (CBM-IV) developed by Gery et al. [1989]. The new mechanism called CBM-Z extends the original framework to function properly at larger spatial and longer timescales. The major modifications in the mechanism include revised inorganic chemistry; explicit treatment of the lesser reactive paraffins, methane and ethane; revised parameterizations of the reactive paraffin, olefin,and aromatic reactions; inclusion of alkyl and acyl peroxy radical interactions and their reactions with NO3; inclusion of organic nitrates and hydroperoxides; and refined isoprene chemistry based on the condensed one-product mechanism of Carter [1996]. CBM-Z was successfully evaluated along with the CBM-IV, a partially revised CBM-IV, and a revised Regional Acid Deposition Model (RADM2) mechanism [Stockwell et al., 1990; Kirchner and Stockwell,1996] using the low NO, and volatile organic compound concentration smog chamber experiments of Simonaitis et al. [1997]. Box model versions of the four mechanisms were also evaluated under a variety of hypothetical urban and rural scenarios for a period of 30 days. Results from CBM-Z and revised RADM2 were found to be within +/-20% of each other, while CBM-IV and revisedCBM-IV results deviated significantly by up to 50-95%. Sensitivity tests were performed to elucidate the effects of some of the new features added inCBM-Z. Relative computational memory and time requirements of these mechanisms are also discussed.

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Documento generato il 01/10/20 alle ore 02:46:00