Computer Modeling of Soot Formation Comparing Free Radical and Ionic Mechanisms
Annual rept. 1 Dec 1988-30 Nov 1989
PENNSYLVANIA STATE UNIV UNIVERSITY PARK
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This is a second annual report on collaborative study between AeroChem and Penn State, aimed at development of quantitative physicochemical model of soot formation. The Penn State accomplishments during the last twelve- months period were The AeroChem ion reaction mechanism was run with a flame code, and the computational results were found to be essentially the same as those reported last year--the PAH formation via the ionic mechanism is slower than via the neutral species pathway A computer code for modeling large species and soot particle formation and growth was developed Our neutral reaction mechanism was updated and tested and A detailed computer simulation of soot particle nucleation and growth in laminar premixed flames was successfully performed using our updated neutral reaction mechanism--for the first time soot particle inception could be modeled from first principles, starting with fuel decomposition and going all the way to predicting, in quantitative agreement with experiment, soot particle properties.
- Combustion and Ignition