Theoretical Prediction of the Heats of Formation, Densities, and Relative Sensitivities for 3,7-diamino-2,4,6,8-tetranitro-1,5-diazanaphthalene (DATNP) and 3,7-diamino-2,4,6,8-tetranitro-1,5-diazanaphthalene 1,5-N-oxide (DATNPO)

Abstract

The US Army Research Laboratorydeveloped series of scripts, written to dramatically simplify the computation of crystalline density and heat of formation, were used to evaluate the performance properties for the 3,7-diamino-2,4,6,8-tetranitro-1,5-diazanaphthalene (DATNP) (1) and 3,7-diamino-2,4,6,8-tetranitro-1,5-diazanaphthalene 1,5-N-oxide (DATNPO) (2) notional energetic materials. Additionally, a qualitative estimation of the impact sensitivities has been calculated. This report outlines the procedures used to generate this information, as well as Cheetah calculations using the predicted crystalline density and heat of formation.

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Document Details

Document Type
Technical Report
Publication Date
Feb 01, 2016
Accession Number
AD1003648

Entities

People

  • Edward F.C. Byrd

Organizations

  • United States Army Research Laboratory

Tags

Communities of Interest

  • Weapons Technologies

DTIC Thesaurus Topics

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

Fields of Study

  • Chemistry

Readers

  • Computational Modeling and Simulation
  • Computer Programming and Software Development.
  • Quantum Chemistry