Fast estimation on the pressure of detonation products of cyclotetramethylene tetranitramine through molecular dynamics simulations

Abstract

The equation of states (EOS) that correlates the pressure, volume and temperature (PVT) of detonation products is indispensable in the numerical modeling of blasting performances of energetic materials. Based on extensive molecular dynamics simulations on the mixtures of CO2, H2O, N2, CO and H2, which are the main components of detonation products of cyclotetramethylene tetranitramine (HMX), the relation of pressure with density, temperature and composition is derived in the range of 1.4–2.2 g/cm3 for density, 3000–4400 K for temperature and 8–40 GPa for pressure. The proposed EOS exhibits good general applicability under the studied conditions and reasonable agreement with the experimentally established Becker–Kistiakowsky–Wilson (BKW) equation. Although several approximations are applied in the computations and some deviations remains, it suggests an effective and feasible approach to establish the EOS for detonation products of energetic materials by means of molecular modeling.

Stability of a Regularized Casson Flow down an Incline: Comparison with the Bingham Case

“…The Casson constitutive law is widely used to model blood flow [33]. Recently, studies regarding the peristaltic Casson flow (important to understand artery and vein physiology [34,35]), has been developed in [36][37][38][39][40][41].…”

On a Casson Fluid Motion: Nonuniform Width Symmetric Channel and Peristaltic Flows

“…The peristaltic motion of Carreau and Casson nanofluid under the action of a magnetic field and in nonisothermal conditions has been investigated in [24]. The magnetohydrodynamic flow was analyzed in [25], and the dynamics in nanochannels were analyzed in [26,27].…”