Molecular dynamics study of the effect of varying exothermicity on the properties of condensed-phase detonation

Conference · Mon Jul 01 04:00:00 EDT 1996

OSTI ID:248254

Elert, M L ^[1]; Robertson, D H ^[2]; White, C T ^[3]

---

1. Naval Academy, Annapolis, MD (United States). Chemistry Dept.
2. Indiana Univ.-Purdue Univ., Indianapolis, IN (United States). Dept. of Chemistry
3. Naval Research Lab., Washington, DC (United States). Chemistry Div.

To investigate the role of exothermicity on the properties of a chemically sustained shock waves, a series of two-dimensional molecular dynamics simulations was carried out in which the exothermicity was systematically varied. The simulations were based on a model diatomic system which has been previously shown to produce reasonable values for shock wave properties. A decrease of 33% in the amount of energy released in the reaction produced a significant decrease in detonation front velocity and an increase in the impact energy necessary to initiate a sustained shock wave. Redistribution of energy between the reaction products at constant total exothermicity had a much smaller effect on the properties of the detonation front.

• OSTI ID: 248254
• Report Number(s): CONF-951155--; ISBN 1-55899-321-5
• Country of Publication: United States
• Language: English

Related Subjects

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEFENSE
CALCULATION METHODS
CHEMICAL EXPLOSIVES
COMBUSTION KINETICS
COMPUTERIZED SIMULATION
DETONATION WAVES
MOLECULAR MODELS
REACTION HEAT
TWO-DIMENSIONAL CALCULATIONS
WAVE PROPAGATION