Properties of carbon clusters in TNT detonation products: Graphite-diamond transition

Abstract

The thermodynamic properties of condensed carbon in the detonation products of TNT have been analyzed with a statistical mechanical model. The calculations show that the heat of formation of diamondlike particles in detonation products is increased by 1–2 kcal/mol (0.04–0.08 eV), relative to that of the graphitic or carbynelike low-pressure phase. The density of the low-pressure phase also appears to be about 10% higher than that of graphite. The short condensation times of 10−7–10−8 s suggest carbon clusters with a high surface energy. The heat of formation indicates cluster sizes of about 100 Å.