Computer Modeling of Soot Formation Comparing Free Radical and Ionic Mechanisms

Abstract

The ultimate objective of this program is to develop a quantitative physical/chemical model of the mechanism of soot formation that is consistent with available experimental data. During the twelve-month period the chemical reaction mechanism of ionic growth developed by the AeroChem parallel efforts was tested with shock tube and laminar premixed stationary flame codes for acetylene, oxygen, argon mixtures. The results of these computations indicate that the formation of polycyclic aromatic hydrocarbons via the ionic reaction pathway is much more slower than that via the pathway involving neutral radicals under the conditions tested. Further analysis is in progress. Soot formation, Computer modeling, Ionic mechanism.

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Document Details

Document Type
Technical Report
Publication Date
Dec 15, 1988
Accession Number
ADA204817

Entities

People

  • Michael Frenklach

Organizations

  • Pennsylvania State University

Tags

Communities of Interest

  • C4I

DTIC Thesaurus Topics

  • Acetylenes
  • Alkynes
  • Aromatic Hydrocarbons
  • Chemical Reaction Properties
  • Chemical Reactions
  • Chemistry
  • Computations
  • Computer Simulations
  • Cyclic Hydrocarbons
  • Experimental Data
  • Hydrocarbons
  • Materials Science
  • Measurement
  • Reaction Mechanisms
  • Reaction Time
  • Shock Tubes
  • Simulations

Readers

  • Combustion science or combustion engineering.