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

• Published in: Chemical physics letters 2010-07, Vol.494 (4), p.306-311
• Main Authors: Dubois, Vincent, Desbiens, Nicolas, Auroux, Eric
• Format: Article
• Language: English
• ISSN: 0009-2614; 1873-4448
• DOI: 10.1016/j.cplett.2010.05.093

Evolution of detonation properties as a function of the initial density for high explosives. [Display omitted] ► Calculation of detonation properties by a thermochemical code. ► The detonation products are composed by a fluid phase (treated by MCRSR equation) and a possible condensed phase of carbon (treated by an effective multiphase EOS). ► New optimization process to calibrate the parameters. ► Reproduce specific data of molecular system over a large range of temperature and pressure. ► Reproduce and predict the detonation properties of several 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.