Simple determination of performance of explosives without using any experimental data

Area of Science:

• Chemistry
• Materials Science
• Chemical Engineering

Background:

• Predicting explosive performance is crucial for safety and application.
• Existing methods often require experimental data or complex simulations.
• Accurate prediction of detonation pressure is a key challenge.

Purpose of the Study:

• To develop a simple, predictive method for detonation pressure of explosives.
• To establish an empirical formula based on fundamental properties.
• To avoid reliance on experimental data and assumed detonation products.

Main Methods:

• Utilizing atomic composition (CaHbNcOd) and calculated gas phase heat of formation.
• Applying an additivity rule for heat of formation calculation.
• Integrating these parameters into an empirical formula for detonation pressure prediction.

Main Results:

• The developed empirical formula accurately predicts detonation pressure across various loading densities.
• Calculated pressures show good agreement with measured values for pure and formulated explosives.
• Deviations between predicted and measured pressures are within experimental error margins.

Conclusions:

• The introduced method provides a straightforward and reliable way to predict explosive detonation pressure.
• The empirical formula effectively integrates loading density, heat of formation, and atomic composition.
• This approach offers a valuable tool for the design and evaluation of new explosive materials.