Journal of the Brazilian Chemical Society
versão On-line ISSN 1678-4790
MARQUES, Carla S. T.; BENVENUTTI, Leandro H. e BERTRAN, Celso A.. Kinetic modeling for chemiluminescent radicals in acetylene combustion. J. Braz. Chem. Soc. [online]. 2006, vol.17, n.2, pp. 302-315. ISSN 1678-4790. http://dx.doi.org/10.1590/S0103-50532006000200013.
Kinetic modeling to reproduce the experimental chemiluminescence of OH*, CHO*, CH* and C2* excited radicals formed in C2H2/O2 combustion in a closed chamber was evaluated. A reaction mechanism with 37 species and 106 elementary reactions for C2H2/O2 combustion at F=1.00 and F=1.62 was validated through chemiluminescence measurements, where formation and decay reactions of excited radicals are included. KINAL package was used for simulations. Ordinary differential equations were solved by the DIFF program and production rate analysis were acquired by the ROPA program. There was good agreement between experimental and simulated chemiluminescence profiles of all radicals for both combustions. The results showed CH has a meaningful role in the production of excited radicals. Reactions: H + O2 = OH* + O; CH + O = CHO*; C2H + O2 = CH* + CO2 and CH2 + C = C2* + H2 were the main reactions paths used to reproduce the experimental profiles.
Palavras-chave : reaction mechanism; chemiluminescence; acetylene; combustion; closed chamber.