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A simple method to assess detonation temperature without using any experimental data and computer code.

Mohammad Hossein Keshavarz1, Hamid Reza Nazari

  • 1Department of Chemistry, Malek-ashtar University of Technology, Shahin-shahr, Islamic Republic of Iran. mhkeshavarz@mut-es.ac.ir

Journal of Hazardous Materials
|November 22, 2005
PubMed
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Predicting explosive detonation temperature is simplified using only elemental composition and heat of formation. New correlations accurately estimate detonation temperature for aromatic and non-aromatic explosives, reducing errors to approximately 7.0%.

Area of Science:

  • Computational Chemistry
  • Chemical Engineering
  • Materials Science

Background:

  • Accurate prediction of explosive detonation temperature is crucial for safety and performance evaluation.
  • Existing methods often rely on complex simulations or experimental data, limiting their accessibility.

Purpose of the Study:

  • To develop simple yet accurate correlations for predicting the detonation temperature of explosives.
  • To establish a method that requires only elemental composition and calculated heat of formation.

Main Methods:

  • Developed two new correlations for predicting detonation temperature, one for aromatic and one for non-aromatic explosives.
  • Utilized the additivity rule for calculating the gas phase heat of formation.
  • Validated the correlations against experimental data and complex computational codes.

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Main Results:

  • The proposed correlations accurately predict detonation temperatures for both pure and formulated explosives.
  • The average mean absolute error in predicted detonation temperature was found to be approximately 7.0%.
  • The method eliminates the need for assumed detonation products and experimental measurements.

Conclusions:

  • Simple correlations based on elemental composition and heat of formation provide a reliable method for predicting explosive detonation temperature.
  • This approach offers a practical and accessible alternative to complex computational or experimental techniques.
  • The findings contribute to safer handling and design of energetic materials.