Mechanistic Models of Soot Formation
Abstract
The overall objectives of this work are to (1) refine and update an existing soot formation model and (2) incorporate this soot model into a code describing a laminar, opposed jet diffusion flame. To help advance the understanding of chemical limitations of PAH formation in the soot model, phenylacetylene has been pyrolyzed in a single-pulse shock tube. The formation of PAH's from aromatic-aromatic reactions have been observed and evidence has been obtained for isomerization (equilibration) among polyaromatic species. Thermodynamics of high molecular weight PAH's have been calculated. Benzene production and radiation phenomena have been modeled and where possible these calculations have been compared to experimental results. A sectional aerosol model has been added to the diffusion flame code as well as related subroutines on soot formation, growth, and oxidation and the debugging of the code is nearly complete. Comparisons of the sectional model and a global soot formation model have been made for premixed flames.... Soot formation modeling, Band radiation, Phenylacetylene pyrolysis, Formation mechanisms and thermodynamics of polycyclic hydrocarbons, Soot formation in diffusion flames.
Document Details
- Document Type
- Technical Report
- Publication Date
- Jul 14, 1993
- Accession Number
- ADA267806
Entities
People
- Meredith B. Colket Iii.
- Mitch D. Smooke
- Robert J. Hall
Organizations
- United Technologies Corporation