New developments of the CARTE thermochemical code: Calculation of detonation properties of high explosives

We present the improvements of the CARTE thermochemical code which provides thermodynamic properties and chemical compositions of CHON systems over a large range of temperature and pressure with a very small computational cost. The detonation products are split in one or two fluid phase (s), treated with the MCRSR equation of state (EOS), and one condensed phase of carbon, modeled with a multiphase EOS which evolves with the chemical composition of the explosives. We have developed a new optimization procedure to obtain an accurate multicomponents EOS. We show here that the results of CARTE code are in good agreement with the specific data of molecular systems and measured detonation properties for several explosives. (C) 2010 Elsevier B. V. All rights reserved.