An Opposed Flow Diffusion Flame Simulation Based Implementation of the Trial Mechanism Method for Chemical Kinetics Mechanism Reduction: Application to the San Diego Mechanism for HTPB-Air Combustion Modeling

Abstract

Seeking more effective means for producing skeletal finite-rate chemical-kinetics mechanisms for modeling propulsion systems whose dynamics are strongly coupled to non-premixed combustion processes, the author developed a variation of the trial mechanism method (TMM) for mechanism reduction that involved comparing solutions to quasi-1-dimensional opposed-flow diffusion flame (OFDF) problems. To evaluate this variations cost and performance, it was applied to create from the 323 reaction-67 species San Diego (SD) mechanism skeletal mechanisms for simulating the combustion of hydroxyl-terminated polybutadiene (HTPB)-air in an opposed-flow burner. The results were encouraging. A candidate comprising 88 reactions and involving 38 species was found able to mimic well the SD mechanism throughout the parameter space of interest. Moreover, though more difficult to set up and apply than TMMs with screening protocols that compare solutions to homogeneous reactor problems, the overall costs of the two approaches proved to be competitive when the cost to vet candidates was included. Considerations in prescribing an OFDF-TMMs screening protocol are discussed. Issues in developing and applying OFDF-TMMs for the reduction of larger mechanisms were anticipated, and means for addressing them proposed.

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Document Details

Document Type
Technical Report
Publication Date
Aug 27, 2020
Accession Number
AD1108539

Entities

People

  • Michael Mcquaid

Organizations

  • United States Army Research Laboratory

Tags

Communities of Interest

  • Weapons Technologies

DTIC Thesaurus Topics

  • Burning Rate
  • Chemical Kinetics
  • Chemical Reactions
  • Chemistry
  • Combustion
  • Computational Fluid Dynamics
  • Computational Science
  • High Performance Computing
  • Hydroxyl Terminated Polybutadiene
  • Kinetics
  • Materials Laboratories
  • Materials Science
  • Materials Testing
  • Military Research
  • Polybutadiene
  • Propulsion Systems
  • Simulations

Readers

  • Combustion science or combustion engineering.
  • Computational Fluid Dynamics (CFD)
  • Systems Analysis and Design

Technology Areas

  • Space
  • Space - Hall-Effect Thruster