Master Equation Studies of Collision-Induced Processes of Large Hydrocarbon Ions and Clusters

Abstract

Turbulent ion flow tube experiments on the charge transfer reaction 02+ C8H10 (ethylbenzene) >02 + C8H10+ and the subsequent competition between collisional stabilization of excited C8H10 + and its fragmentation to CH3 + C7H7 + (benzylium or tropylium) has been analyzed quantitatively by statistical rate theory and a master equation analysis of energy transfer. Charge transfer is shown to proceed by a resonant process or through complex-formation, accompanied by differing distributions of vibrational energy generated in the excited ions. Calibrating collisional stabilization against measured fragmentation rates, collisional energy transfer of excited ions is shown to proceed at the ion-molecule collision rate with average energies removed by collision which are close to the corresponding values for excited neutral molecules. Benzylium vs tropylium yields were measured and analyzed quantitatively by statistical rate theory. The project provided ample information required for the understanding of the behaviour of molecular ions under high temperature/high pressure combustion conditions.

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Document Details

Document Type
Technical Report
Publication Date
Oct 31, 2003
Accession Number
ADA418036

Entities

People

  • Jürgen Troe

Tags

Communities of Interest

  • Materials and Manufacturing Processes

DTIC Thesaurus Topics

  • Aromatic Hydrocarbons
  • Charge Transfer
  • Chemical Compounds
  • Chemical Reaction Properties
  • Chemical Reactions
  • Chemistry
  • Collisions
  • Combustion
  • Cyclic Hydrocarbons
  • Energy
  • Energy Transfer
  • Equations
  • Exothermic Reactions
  • Fragmentation
  • High Pressure
  • Hydrocarbons
  • Molecules

Fields of Study

  • Physics

Readers

  • Molecular Photonics/Laser Physics
  • Theoretical Analysis.