A Review of Equation of State Models, Chemical Equilibrium Calculations and CERV Code Requirements for SHS Detonation Modelling

Abstract

This report has summarized the current CERV capabilities and limitations and has identified possible models that could be added to the code for condensed and gaseous phase modelling. Particular attention has been given in the discussion to the implementation of suitable equations of state and melting models for condensed species along with databases for the model parameters. In order to assist in identifying and characterizing the CERV strengths and deficiencies, comparisons have been made with other codes for the constant pressure combustion temperatures of selected mixtures. The codes used for comparisons include FactSage, CEA and Thermo. The various codes have been applied to the Ti-Si and Ti-B systems and to the thermite systems, MoO3-Al and Fe2O3-Al. Based on the models reviewed and the calculations performed, the CERV limitations have been summarized in terms of their level of importance to SHS modelling and the impact they may have on various sections of the CERV code.

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Document Details

Document Type
Technical Report
Publication Date
Oct 01, 2009
Accession Number
ADA534800

Entities

People

  • Paul Thibault

Tags

Communities of Interest

  • Energy and Power Technologies
  • Weapons Technologies

DTIC Thesaurus Topics

  • Chemical Compounds
  • Chemistry
  • Combustion Products
  • Crystal Structure
  • Density Functional Theory
  • Equations
  • Equations Of State
  • Explosives
  • First Principles Calculations
  • Materials
  • Materials Science
  • National Security
  • Phase Diagrams
  • Phase Transformations
  • Physics Laboratories
  • Thermodynamics
  • Transition Temperature

Readers

  • Combustion science or combustion engineering.
  • Computational Fluid Dynamics (CFD)
  • Powder metallurgy of Titanium alloys.