Computer Modeling of Soot Formation Comparing Free Radical and Ionic Mechanisms
Abstract
This is the second annual report on a collaborative effort between AeroChem, Penn State, and Iowa State to compare the relative importance of the free radical mechanism of Frenklach and associates and the ionic mechanism of Calcote and associates by use of computer programs run at Penn State and Iowa State. The thermodynamic and reaction kinetics coefficients for the detailed ionic reaction mechanism are being developed by correlating data in the literature and performing theoretical calculations. Comparison of the computer model, using the present set of rate coefficients, with experimental ion concentrations in the standard acetylene-oxygen flame at 1.67 kPa demonstrates a number of problems with the present set of rate coefficients. These are being corrected. A comparison of the time it takes for the neutral and ionic mechanisms, using experimental species concentrations and typical rate coefficients used in two respective mechanisms, demonstrates that the time to add ten carbon atoms, from C sub 10 to C sub 20, by the two mechanisms is comparable. (kr)
Document Details
- Document Type
- Technical Report
- Publication Date
- Nov 29, 1989
- Accession Number
- ADA216533
Entities
People
- H. F. Calcote
- Robert J. Gill