Computer Modeling of Soot Formation Comparing Free Radical and Ionic Mechanisms
Abstract
A collaborative effort has been initiated between AeroChem and Penn 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 a computer program run at Penn State. During the present report period: the thermodynamic data for some neutral species and the ions employed in the ionic mechanism were either compiled from the literature or calculated; the reaction mechanism was developed and the rate coefficients either obtained from the literature or estimated; and the ambipolar diffusion coefficients of the ions involved were calculated. Considerably more work is yet required in estimating the reaction rate coefficients. Comparative computer runs will first be made on the well documented sooting acetylene/oxygen/argon flat flame at a pressure of 1.67 kPa and a linear flow rate of 50 cm/s.
Document Details
- Document Type
- Technical Report
- Publication Date
- Mar 01, 1989
- Accession Number
- ADA206693
Entities
People
- H. F. Calcote
- Robert J. Gill