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Titre du document / Document title

Global kinetic rate parameters for the formation of polycyclic aromatic hydrocarbons from the pyrolyis of catechol, a model compound representative of solid fuel moieties

Auteur(s) / Author(s)

LEDESMA Elmer B. (1) ; MARSH Nathan D. (1) ; SANDROWITZ Alyssa K. (1) ; WORNAT Mary J. (1) ;

Affiliation(s) du ou des auteurs / Author(s) Affiliation(s)

(1) Princeton University, Department of Mechanical and Aerospace Engineering, Princeton, New Jersey 08544, ETATS-UNIS

Résumé / Abstract

To obtain kinetic parameters on PAH formation relevant to solid fuels combustion, pyrolysis experiments have been conducted with catechol, a model fuel representing entities in coal and biomass. Catechol pyrolysis experiments were performed in a tubular-flow reactor at temperatures of 500-1000 °C and at a residence time of 0.4 s. PAH products were identified and quantified by high-pressure liquid chromatography with ultraviolet-visible diode-array detection and by gas chromatography with flame ionization and mass spectrometric detection. A pseudo-unimolecular reaction kinetic model was used to model the experimental yield/temperature data of 15 individual aromatics and of combinations of PAH grouped by structural class and ring-number. The modeling of the individual species' yields showed that the pseudo-unimolecular model agreed very well with the experimental data. Ea values ranged from 50 to 110 kcal mol-1, generally increasing as the size of the aromatic product increased from one to five aromatic rings. The pseudo-unimolecular model also performed well in modeling the experimental yields of PAH grouped by structural class and ring number. The global kinetic analysis results for PAH grouped by ring number revealed that Ea values increased in the following order: 2-ring < 3-ring < 4-ring < 5-ring < 6-ring. Their yields followed the reverse order: 2-ring > 3-ring > 4-ring > 5-ring > 6-ring. These trends of increasing Ea and decreasing yield, as ring number is increased, are consistent with a mechanism for PAH growth involving successive ring buildup reactions.

Revue / Journal Title

Energy & fuels    ISSN  0887-0624   CODEN ENFUEM 

Source / Source

2002, vol. 16, no6, pp. 1331-1336 [6 page(s) (article)] (39 ref.)

Langue / Language

Anglais

Editeur / Publisher

American Chemical Society, Washington, DC, ETATS-UNIS  (1987) (Revue)

Mots-clés anglais / English Keywords

Gas chromatography

;

Liquid chromatography

;

Combustion

;

Biomass

;

Coal

;

Polycyclic aromatic compound

;

Kinetics

;

Pyrolysis

;

Model compound

;

Pyrocatechol

;

Air pollution

;

Mots-clés français / French Keywords

Chromatographie phase gazeuse

;

Chromatographie phase liquide

;

Combustion

;

Biomasse

;

Charbon

;

Composé aromatique polycyclique

;

Cinétique

;

Pyrolyse

;

Composé modèle

;

Pyrocatéchol

;

Pollution air

;

Mots-clés espagnols / Spanish Keywords

Cromatografía fase gaseosa

;

Cromatografía fase líquida

;

Combustión

;

Biomasa

;

Carbón

;

Compuesto aromático policíclico

;

Cinética

;

Pirólisis

;

Compuesto modelo

;

Pirocatecol

;

Contaminación aire

;

Localisation / Location

INIST-CNRS, Cote INIST : 21106, 35400010556018.0010

Nº notice refdoc (ud4) : 14374239



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