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Mechanisms Controlling Soot Formation in Diffusion Flames.
Final rept. 1 Aug 94-31 Jul 97,
UNITED TECHNOLOGIES RESEARCH CENTER EAST HARTFORD CT
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Arclength continuation methods were incorporated into a code for predicting the structure of sooting, opposed-jet flames. The code includes complex chemistry, detailed particle dynamics, particle chemistry and radiation. The code was used to predict soot production over a wide variation in strain rates for both ethyleneair and methaneair diffusion flames. Predicted values both peak and spatial distributions agree well with experimental measurements in ethylene flames. Particle size distributions are also predicted using the aerosol equations from MAEROS, but no data is available for comparison. Also, the soot dynamical equations were imbedded into a separate code to describe soot production in a coflow, laminar, diffusion flame which includes treatment of detailed, gas phase chemistry. Predictions were compared to measurements made in a methane, coflow flame. Reasonable agreement between the predictions and measurements was obtained, although a factor of three underprediction of the soot volume fractions is likely due to uncertainties in inlet conditions and an inability to match closely bulk flame parameters such as temperature. Predicted peak soot production occurred around 1720K and particle oxidation was dominated by superequilibrium concentrations of hydroxyl radicals. Several PAH-forming sequences were examined and compared to the traditional acetylene-addition sequence. A sequence involving benzyl-propargyl combination was found to compete with the traditional mechanism and it should be included in future analyses. The algorithms for treating sectional soot dynamics and growthoxidation rates were modified to include effects at high pressure. Continuum effects and limitations to gaseous diffusion were included in the opposed jet code. Predicted variations in soot production due to pressure changes from 4 to 10 atmospheres were made for an ethylene-air,
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