Theoretical Prediction of the Heats of Formation, Densities, and Relative Sensitivities for 2-(azidomethyl)-2-nitropropane-1,3-diyl dinitrate (AMDNNM), bis- aminofurazan diamino-octanitro-azobenzene (BAFDAONAB), and bis-nitrofurazan diamino-octanitro-azobenzene (BNFDAONAB)

Abstract

Using a series of scripts developed by the US Army Research Laboratory, written to dramatically simplify the computation of crystalline density and heat of formation, the performance properties were evaluated for the 2-(azidomethyl)-2-nitropropane-1,3-diyl dinitrate (AMDNNM), bis-aminofurazan diamino-octanitro-azobenzene (BAFDAONAB), and bis-nitrofurazan diamino-octanitro-azobenzene (BNFDAONAB) notional energetic materials. A qualitative estimation of the impact sensitivities has also been calculated. This report outlines the procedures used to generate this information and includes Cheetah calculations using the predicted crystalline density and heat of formation.

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Document Details

Document Type
Technical Report
Publication Date
Apr 01, 2016
Accession Number
AD1007813

Entities

People

  • Edward F.C. Byrd

Organizations

  • United States Army Research Laboratory

Tags

Communities of Interest

  • Weapons Technologies

DTIC Thesaurus Topics

  • Azobenzenes
  • Buildings And Structures
  • Computations
  • Data Analysis
  • Department Of Defense
  • Energetic Materials
  • Heat Of Formation
  • Information Operations
  • Materials
  • Materials Laboratories
  • Military Research
  • Molecules
  • Sensitivity
  • Solid Phases
  • Surface Warfare
  • Tnt

Fields of Study

  • Chemistry

Readers

  • Combustion science or combustion engineering.
  • Computational Modeling and Simulation
  • Data Mining and Knowledge Discovery.