Modeling solid-state detonation based on thermochemical equilibrium calculations

ABSTRACT

The present work describes the application of a recently developed Calculation of Phase Diagrams (CALPHAD) method to perform condensed-phase thermochemical equilibrium calculations of Chapman–Jouguet (CJ) detonation properties for a number of new mixtures speculated to support gasless detonation. Mixtures in question are titanium–silicon (Ti–Si), the common thermite mixture of aluminum–iron oxide (Al–Fe₂O₃), and zinc–sulfur (Zn–S). The high-pressure products of these reactive mixtures were found to be stable, and thus suitable for gasless CJ detonation calculations. The CJ calculation method was found to be successful for these mixtures, and the results showed CJ detonation properties with high temperatures, but only marginal volume increase. While this is expected for condensed-phase products, the calculations nevertheless show that gasless detonation may be possible under a very narrow range of conditions.

KEYWORDS:

• Gasless
• detonation
• thermochemical equilibrium
• Calphad
• Hugoniot equation of state

Additional information

Funding

This work was supported by the Defence Research and Development Canada.