A thermodynamic approach for identifying the conditions for gasless detonation

• A new CALPHAD method is used to identify optimal condition for gasless detonation.
• The FactSage software and databases are used to calculate the materials properties.
• The optimal detonation compositions are presented and discussed.

The present paper describes a theoretical method of examining thermodynamic equilibrium detonation states for reactions producing little or no gaseous products. Calculation of Phase Diagram (CALPHAD) techniques are used to calculate the thermodynamic states of the condensed-phase reaction at ambient conditions, and an analytical shock physics approach is used to estimate the detonation state. This method provides more accurate thermo–chemical equilibrium calculations for low-gas reactive mixtures, and can help evaluate the ability of a mixture to support a gasless detonation. A representative analysis was performed on an iron–aluminum thermite mixture and significant differences were found compared to previously published results.