Kinetic modeling of propane oxidation and pyrolysis

Abstract

Propane oxidation in jet‐stirred reactor was modeled using a comprehensive kinetic reaction mechanism including the most recent findings concerning the kinetics of the reactions involved in the oxidation of C1C4 hydrocarbons. The present detailed mechanism is able to reproduce experimental species concentration profiles obtained in our high‐pressure jet‐stirred reactor (900 ⩽ T/K ⩽ 1200; 1 ⩽ P/atm ⩽ 10; 0.15 ⩽ ϕ ⩽ 4) and in a turbulent flow reactor at 1 atm; ignition delay times measured in shock tube (1200 ⩽ T/K ⩽ 1700; 2 ⩽ P/atm ⩽ 15; 0.125 ⩽ ϕ ⩽ 2); H‐atoms concentrations measured in shock tube during the pyrolysis of propane and burning velocities of freely propagating premixed propane‐air laminar flames. The computed results are discussed in terms of pressure and equivalence ratio (ϕ) effects on propane oxidation. The same detailed kinetic reaction mechanism can also be used to model the oxidation of methane, ethylene, ethane, and propene in similar conditions. © John Wiley & Sons, Inc.

Pyrolysis of propane under vacuum carburizing conditions: An experimental and modeling study

“…Fig. 12 shows 1D model results for CH 4 . The formation of methane is barely affected at temperatures above 850 C and only a small decrease is observed at temperatures above 950 C as shown in Fig.…”

“…Pyrolysis of propane like that of many other hydrocarbons leads to hundreds of species and reactions. The reaction mechanisms proposed in the literature range from few species to hundreds of species [1][2][3][4][5][6][7][8][9][10]. The experimental conditions reported also vary over a wide range of temperatures, residence times and pressures depending upon their field of application.…”

Shock-Tube Study of the Ignition of Propane at Intermediate Temperatures and High Pressures

“…Again, a decrease in the activation energy for lower temperatures is not predicted by the reaction schemes used. Simulations by Cadman et al (2000) of their data at 5, 10, and 40 bar with reaction mechanisms of Jachimowski (1984) and Dagaut et al (1987Dagaut et al ( , 1992, modified by Voisin (1997), and some reactions added by Cadman et al (2000) also disagree with the experiments. None of these mechanisms can predict the decrease in the activation energy for T < 1050 K.…”

An experimental and kinetic modeling study of n -hexane oxidation

“…The development of accurate low-temperature oxidation mechanisms is especially important for assigning ignition timing and rate-of-heat-release in kinetically controlled, low-temperature combustion strategies such as HCCI, RCCI and PPC, which all hold promise for clean, efficient transportation engines [4]. The oxidation mechanisms of small alkanes, from methane to butane, have been studied over a wide range of conditions both experimentally and theoretically [5][6][7][8][9][10][11][12][13].…”