Development of a Comprehensive and Predictive Reaction Mechanism of Liquid Hydrocarbon Fuel Combustion

Abstract

Studies were conducted in several relevant areas, including (1) a gas-kinetic analysis for the transport properties of long chain molecules in dilute gases, (2) quantum-chemistry, master equation modeling of the unimolecular decomposition of ortho-benzyne, (3) extension of the previously developed H2/CO model to combustion pressure as high as 600 atm, and (4) a methodology for kinetic uncertainty propagation currently under development. These projects represent the two key ingredients that are necessary for the success of the overall research program: (a) an accurate physico-chemical property database for combustion kinetics, and (b) a unified and optimized kinetic model for liquid aliphatic and aromatic fuel combustion with quantifiable uncertainties.

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Document Details

Document Type
Technical Report
Publication Date
Jun 01, 2006
Accession Number
ADP023627

Entities

People

  • Hai Wang

Organizations

  • University of Southern California

Tags

Communities of Interest

  • Energy and Power Technologies

DTIC Thesaurus Topics

  • Alkynes
  • Chemical Kinetics
  • Chemical Properties
  • Chemistry
  • Combustion
  • Data Sets
  • Decomposition
  • Diffusion Coefficient
  • Equations
  • High Temperature
  • Hydrocarbon Fuels
  • Hydrocarbons
  • Kinetic Theory
  • Kinetics
  • Physical Chemistry
  • Quantum Chemistry
  • Shock Tubes

Fields of Study

  • Chemistry

Readers

  • Combustion science or combustion engineering.
  • Life Cycle Cost Analysis
  • Organic Chemistry

Technology Areas

  • Quantum Computing