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Titolo:
PARAMETERIZATION OF PRESSURE-DEPENDENT AND TEMPERATURE-DEPENDENT KINETICS IN MULTIPLE WELL REACTIONS
Autore:
VENKATESH PK; CHANG AY; DEAN AM; COHEN MH; CARR RW;
Indirizzi:
UNIV MINNESOTA,DEPT CHEM ENGN & MAT SCI,421 WASHINGTON AVE SE MINNEAPOLIS MN 55455 EXXON RES & ENGN CO,CORP RES SCI LAB ANNANDALE NJ 08801 CALTECH,JET PROP LAB PASADENA CA 91109
Titolo Testata:
AIChE journal
fascicolo: 5, volume: 43, anno: 1997,
pagine: 1331 - 1340
SICI:
0001-1541(1997)43:5<1331:POPATK>2.0.ZU;2-4
Fonte:
ISI
Lingua:
ENG
Soggetto:
SCATTERED DATA; INTERPOLATION;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Science Citation Index Expanded
Citazioni:
26
Recensione:
Indirizzi per estratti:
Citazione:
P.K. Venkatesh et al., "PARAMETERIZATION OF PRESSURE-DEPENDENT AND TEMPERATURE-DEPENDENT KINETICS IN MULTIPLE WELL REACTIONS", AIChE journal, 43(5), 1997, pp. 1331-1340

Abstract

It is now well confirmed that the influence of temperature on the fall-off behavior of dissociation recombination and chemically-activated reactions can be dramatic. For single-well, single-product dissociation reactions, it is customary to approximate these fall-off surfaces using extensions of Lindemann's empirical expression. We consider here chemical-activation and dissociation reactions possessing multiple wells and multiple products. We show that direct approximation of the ratecoefficients via Chebyshev expansions yields reliable and accurate representations of their pressure and temperature dependences, which aresuperior to those from a Lindemann approach to fit the form factor representing the fall-off surface. The superiority of the method is demonstrated in a study of seven channels corresponding to four different reactions important in combustion chemistry over the ranges 300-3,000 K and 0.02-200 atm.

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Documento generato il 24/09/20 alle ore 19:50:07