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Title: A Detailed Modeling Study of Propane Oxidation

A detailed chemical kinetic mechanism has been used to simulate ignition delay times recorded by a number of experimental shock tube studies over the temperature range 900 {le} T {le} 1800 K, in the pressure range 0.75-40 atm and in the equivalence ratio range 0.5 {le} {phi} {le} 2.0. Flame speed measurements at 1 atm in the equivalence ratio range 0.4 {le} {phi} {le} 1.8 have also been simulated. Both of these data sets, particularly those recorded at high pressure, are of particular importance in validating a kinetic mechanism, as internal combustion engines operate at elevated pressures and temperatures and rates of fuel oxidation are critical to efficient system operation. Experiments in which reactant, intermediate and product species were quantitatively recorded, versus temperature in a jet-stirred reactor (JSR) and versus time in a flow reactor are also simulated. This data provide a stringent test of the kinetic mechanism as it must reproduce accurate quantitative profiles for all reactant, intermediate and product species. The JSR experiments were performed in the temperature range 1000-1110 K, in the equivalence ratio range 0.5 {le} {phi} {le} 4.0, at a pressure of 5 atm. These experiments are complemented by those carried out in a flowmore » reactor in the temperature range 660-820 K, at 10 atm and at an equivalence ratio of 0.4. In addition, burner stabilized flames were simulated, where chemical species profiles were measured at atmospheric pressure for two propane-air flat flames. Overall, reasonably good agreement is observed between the model simulations and the experimental results.« less
Authors:
; ; ;
Publication Date:
OSTI Identifier:
15013956
Report Number(s):
UCRL-CONF-203063
TRN: US200803%%765
DOE Contract Number:
W-7405-ENG-48
Resource Type:
Conference
Resource Relation:
Conference: Presented at: Western States Section of the Combustion Institute 2004 Spring Meeting, Davis, CA, United States, Mar 29 - Mar 30, 2004
Research Org:
Lawrence Livermore National Laboratory (LLNL), Livermore, CA
Sponsoring Org:
USDOE
Country of Publication:
United States
Language:
English
Subject:
32 ENERGY CONSERVATION, CONSUMPTION, AND UTILITZATION; 37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; ATMOSPHERIC PRESSURE; COMBUSTION; INTERNAL COMBUSTION ENGINES; OXIDATION; PRESSURE RANGE; PROPANE; SHOCK TUBES; SIMULATION