ACADEMIA ROMÂNĂ Revue Roumaine de Chimie http://web.icf.ro/rrch/ Rev. Roum. Chim., 2012, 57(7-8), 675-681 Dedicated to Professor Victor-Emanuel Sahini on the occasion of his 85 th anniversary KINETIC MODELING OF FLAME PROPAGATION IN GASEOUS PROPANE-AIR MIXTURES Domnina RAZUS, a,* Maria MITU, a Venera BRINZEA, a Adina MUSUC a and Dumitru OANCEA b a ”Ilie Murgulescu” Institute of Physical Chemistry, Roumanian Academy, 202 Spl.Independentei, Bucharest, Roumania b University of Bucharest, Faculty of Chemistry, Physical Chemistry Department, 4-12 Elisabeta Blvd., Bucharest, Roumania Received May 27, 2011 The burning velocities, temperature and concentration profiles of various chemical species in the flame front of free laminar premixed flames propagating in propane-air gaseous mixtures were computed with the package COSILAB. Propane-air mixtures of variable composition ([C 3 H 8 ] = 2.5 – 6.5 vol.%) were examined, at variable initial pressures within 0.5 and 3 bar and variable initial temperatures within 300-550 K. The modeling used the GRI reaction mechanism, developed by the Gas Research Institute-USA for natural gas-air flames in various conditions by taking into account 53 species and 325 elementary chemical reactions. The computed values of burning velocities are discussed in comparison with previously reported experimental values, derived from pressure measurements during the early stage of explosions in a spherical vessel with central ignition. The flame structure (temperature and concentration profiles across the flame front) is discussed in connection with the initial fuel concentration, temperature and pressure of flammable mixtures. INTRODUCTION * Computational studies on one-dimensional adiabatic premixed flames were extensively used in the field of hydrocarbon oxidation kinetics, in order to determine the relative importance of various reaction steps after comparing experimental results with numerically calculated values (the normal burning velocities and the temperature and concentration profiles for various chemical species) and performing sensitivity analysis for the examined parameters. 1 Many studies were performed on lower alkane- and alkene-air mixtures, modeling the ignition/extinction of these flames or their propagation in laminar regime. 2-14 The developed mechanisms were used also for modeling the * Corresponding author: drazus@icf.ro homogeneous self-ignition of fuel-air flames, either in jet-stirred reactors (the low-temperature regime) or in shock tubes (the high temperature regime). 15-17 In many studies, propane was chosen as test fuel. 2, 4-8, 10-12, 14 Indeed, propane is the smallest hydrocarbon which participates to reactions typical for larger hydrocarbons, and therefore its study affords a better understanding of the combustion mechanisms of larger hydrocarbon fuels. Most authors reported measured burning velocity together with temperature and species profiles of propane/O 2 /N 2 flames stabilized usually on a flat- flame burner. 11 Various techniques were used to determine the burning velocities of propane in air: counter-flow flame technique, 18 spherical bomb technique, 19,20 single-jet-wall stagnation technique. 21