Ionic Precursors of Soot - A Combined Experimental-Theoretical Approach
Abstract
Results of quantum mechanical calculations and ion cyclotron resonance mass spectrometric (ICRMS) studies on hydrocarbon cations proposed to be important mechanistic precursors of soot particles in flames are presented in this technical report. Of these cations, C3H3+ is the most abundant in sooting flames. Quantum mechanical calculations give relative energy levels of the various isomers of the cations energy barriers for certain important reactions, and ultraviolet and infrared spectral lines for some of the isomers. Experimental studies using ICRMS yield data on the rates of reactions of some of these hydrocarbon cations with certain neutral molecules, particularly acetylene (C2H2) and diacetylene (C4H2) which are both found in sooting flames. Cyclopropenylium cation, Propargylium cation, Encounter complex, Acetylene, Diacetylene, Kinetic modeling.
Document Details
- Document Type
- Technical Report
- Publication Date
- Jun 01, 1988
- Accession Number
- ADA206461
Entities
People
- F. Wiseman
- J. Eyler
- M. Zerner
Organizations
- University of Florida