The structure of a two-phase steady detonation in a granulated solid propellant is studied, and existence conditions for a one-dimensional, steady two-phase detonation are given. Ordinary differential equations from continuum mixture theory are solved numerically to determine steady wave structure. In the limiting case where heat transfer and compaction effects are negligible, the model reduces...

Combining ab initio quantum mechanics with a dipole-field model to describe acid dissociation reactions in water: First-principles free energy and entropy calculations Modeling deflagration-to-detonation transition in granular explosive pentaerythritol tetranitrate Simulated thermal decomposition and detonation of nitrogen cubane by molecular dynamics

This paper describes oneand two-dimensional numerical simulations, with simplified as well as full reaction kinetics, of a single cycle pulse detonation engine (PDE). Focus of the present studies is on 1) the presence of a nozzle extension at the end of the tube, and its effect on performance parameters as well as noise characteristics, 2) critical “spark ignition” energies associated with the ...

Despite many computer based codes like CHEETAH, TIGER, RUBY, BKW, etc. the velocity of detonation (VOD) for explosive molecules and explosive mixtures (formulations) is estimated by several empirical formulations. This article discusses various approaches for the estimation of the velocity of detonation by empirical mathematical equations. The formulation proposed by Kamlet in 1968 is the oldes...

We study a projection and upwind finite difference scheme for a combustion model problem. Convergence to weak solutions is proved under the Courant-Friedrichs-Lewy condition. More assumptions are given on the ignition temperature; then convergence to strong detonation wave solutions or to weak detonation wave solutions is proved.

High-performance explosives: Tris(triazolo)benzene was synthesized and converted to its trinitro and trichloro derivatives (see scheme; R=NO(2), Cl). The heats of formation of this "high-nitrogen" compounds were calculated and combined with experimentally determined densities to determine detonation pressures and velocities. They exhibit high density, good thermal stability, high heats of forma...

Electronic structure calculations have been performed to investigate the initial steps in the gas-phase decomposition of urea and urea nitrate. The most favorable decomposition pathway for an isolated urea molecule leads to HNCO and NH3. Gaseous urea nitrate formed by the association of urea and HNO3 has two isomeric forms, both of which are acid-base complexes stabilized by the hydrogen-bondin...

The propagation of a detonation wave remains one of the challenging problems in physics. While it is possible to predict the average propagation velocity almost correctly using classical theory [1, 2], there is no theory to explain the internal flow structure satisfactorily. The famous Zel’dovich-von Neumann-Döring theory [3, 4, 5] is widely considered to describe the one-dimensional detonation...

We study a Type Ia supernova explosion using large-scale three-dimensional numerical simulations based on reactive fluid dynamics with a simplified mechanism for nuclear reactions and energy release. The initial deflagration stage of the explosion involves a subsonic turbulent thermonuclear flame propagating in the gravitational field of an expanding white dwarf. The deflagration produces an in...