Reactive Flow in Nitromethane Using a Quasiharmonic Unreacted Equation of State

Abstract

This work examines the suitability of an Arrhenius reaction rate for describing homogeneous initiation of nitromethane, CH3NO2. We use reactive flow models that include temperature as well as mechanical state to investigate shock initiation in nitromethane. We describe the construction of an unreacted equation of state to provide the accurate temperatures required to support a temperature dependent reaction rate within a reactive flow model. A quasiharmonic form based on the Grüneisen equations of state normalized to shock wave data but with a more rigorous treatment of thermal modes was used. A thermochemical model was used for the reaction products. The Arrhenius reaction parameters reported in the literature reproduced experimental data within this model, without adjustment.