Comparison of DSMC Reaction Models with QCT Reaction Rates for Nitrogen

Abstract

Objective. Our project seeks to recommend and improve simplified microscopic models and connect them to macroscopic counterparts. This work is first step: use recent high quality QCT calculations for model verification and parameter adjustment. Four chemistry models: total collision energy (TCE), quantum kinetic (QK), vibration-dissociation favoring (VFD), and weak vibrational bias (Bias).

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Document Details

Document Type
Technical Report
Publication Date
Jul 17, 2016
Accession Number
AD1014427

Entities

People

  • Ingrid J. Wysong
  • Sergey F. Gimelshein

Organizations

  • Air Force Research Laboratory

Tags

Communities of Interest

  • C4I

DTIC Thesaurus Topics

  • Accuracy
  • Agreements
  • Air Force
  • Air Force Research Laboratories
  • Chemical Reaction Properties
  • Chemistry
  • Department Of Defense
  • Dissociation
  • Elements
  • Energy
  • Energy Transfer
  • Gas Dynamics
  • Military Research
  • Nitrogen
  • Rarefied Gas Dynamics
  • Rarefied Gases
  • Vibration

Readers

  • Computational Modeling and Simulation
  • Molecular Photonics/Laser Physics

Technology Areas

  • Quantum Computing