Development of Predictive Reaction Models of Soot Formation

Abstract

This is a first-year annual report on the project. The ultimate objective of this program is to develop a predictive reaction model for soot information in hydrocarbon flames. The specific objectives of the proposed 3-year study are to extend the modeling efforts to computer simulation and analysis of more complex sooting phenomena, such as sooting limits in laminar premixed flames, soot formulation in premixed flames of aromatic fuels, and soot formation in laminar diffusion flames, and to further refine the underlying reaction mechanism of soot formation. During the first twelve-months period of the project, progress has been made in the following areas: development of a new optical model, simulation of sooting limits of laminar premixed flames; further development and testing of the detailed reaction mechanism for the formation and growth of polycyclic aromatic hydrocarbons (PAHs); and quantum-chemical potential energy calculations for ion molecule reactions.

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Document Details

Document Type
Technical Report
Publication Date
Dec 31, 1991
Accession Number
ADA246804

Entities

People

  • Michael Frenklach

Organizations

  • Pennsylvania State University

Tags

Communities of Interest

  • Counter IED
  • Energy and Power Technologies
  • Human Systems

DTIC Thesaurus Topics

  • Algorithms
  • Chemical Reaction Properties
  • Chemical Reactions
  • Chemical Synthesis
  • Chemistry
  • Classification
  • Combustion
  • Computers
  • Energy
  • Hydrocarbons
  • Mechanical Engineering
  • Optical Properties
  • Particle Size
  • Particles
  • Potential Energy
  • Reaction Mechanisms
  • Simulations

Readers

  • Combustion science or combustion engineering.
  • Organic Chemistry
  • Technical Research and Report Writing.

Technology Areas

  • Quantum Computing