Chemical Kinetic Characterization of Combustion Toluene

Conference · Tue Mar 20 04:00:00 EST 2001

OSTI ID:15005660

Pitz, W J; Seiser, R; Bozzelli, J W; Da Costa, I; Fournet, R; Billaud, F; Battin-Leclerc, F; Seshadri, K; Westbrook, C K

A study is performed to elucidate the chemical kinetic mechanism of combustion of toluene. A detailed chemical kinetic mechanism for toluene was improved by adding a more accurate description of the phenyl + O{sub 2} reaction channels. Results of the chemical kinetic mechanism are compared with experimental data obtained from premixed and nonpremixed systems. Under premixed conditions, predicted ignition delay times are compared with new experimental data obtained in shock tube. Also, calculated species concentration histories are compared to experimental flow reactor data from the literature. Critical conditions of extinction and ignition were measured in strained laminar flows under nonpremixed conditions in the counterflow configuration. Numerical calculations are performed using the chemical kinetic mechanism at conditions corresponding to those in the experiments. Critical conditions of extinction and ignition are predicted and compared with the experimental data. For both premixed and nonpremixed systems, sensitivity analysis was used to identify the reaction rate constants that control the overall rate of oxidation in each of the systems considered.

• Research Organization: Lawrence Livermore National Lab., CA (US)
• Sponsoring Organization: US Department of Energy (US)
• DOE Contract Number: W-7405-ENG-48
• OSTI ID: 15005660
• Report Number(s): UCRL-JC-142415
• Country of Publication: United States
• Language: English

Related Subjects

42 ENGINEERING
COMBUSTION
CONFIGURATION
IGNITION
KINETICS
LAMINAR FLOW
OXIDATION
REACTION KINETICS
SENSITIVITY ANALYSIS
SHOCK TUBES
TOLUENE