Development of Predictive Reaction Models of Soot Formation
Annual technical rept. 1 Jan-31 Dec 1992
PENNSYLVANIA STATE UNIV UNIVERSITY PARK DEPT OF MATERIALS SCIENCE AND ENGINEERING
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During the second twelve-month period of the project, progress has been made in the following areas 1 The computational study of sooting limits in laminar premixed flames was completed. It was found that the critical equivalence ratios for soot appearance, both the absolute values and temperature dependencies, can be predicted fairly close to the experimental observations. Sensitivity and reaction path analyses were performed to examine the factors responsible for the predicted behavior. 2 New estimation techniques were developed and applied for calculations of standard-state enthalpies of formation and binary gaseous diffusion coefficients Of polyCyCl4C aromatic hydrocarbons PAHs and their radicals, thus providing critical information for accurate modeling of soot formation in flames. 3 Theoretical studies of a bench-mark ion-molecule reaction were completed. 4 Computer simulations of the effect of pressure on soot formation were initiated. 5 Several manuscripts summarizing the results obtained have been completed and submitted for publication.
- Combustion and Ignition