Using maximum likelihood estimation approach to adjust parameters of CARTE thermochemical code.

Abstract

Using thermochemical codes to predict the properties of detonation products and the parameters for detonation modeling of explosives requires the use of very precise theoretical equations of state (EoS). We share the updates to the thermochemical code CARTE, which allows the calculation of thermodynamic properties and chemical compositions of detonation products over a wide range of temperatures and densities. In this paper, we focus on the theoretical EoS of pure fluids, based on the KLRR perturbation method and EXP‐6 potentials. We propose a maximum likelihood approach to fit the EXP‐6 parameters by matching a combination of shock data and static compression data. We present the results obtained on the detonation properties on nitric oxide.