Theoretical model of explosive detonation products: Tests and sensitivity studies
At the 8th Detonation Symposium, we described a (nearly) a priori theory for calculating equations of state (EOS) for the detonation products of explosives. Two main conclusions emerged from that work. First, we found that the ideal mixing approximation gave surprisingly accurate results. The most important advantage of ideal mixing is that it enables one to include much more realistic models for complicated chemical species than would be possible using mixture theories based upon simple intermolecular pair potentials. Second, we showed that formic acid (HCOOH), which has been overlooked in most other theoretical work, is an important reaction product for explosives having a negative oxygen balance (OB). The purposes of this paper are to justify the foundations of our theory, to discuss tests and sensitivity studies of the calculations, and to present some new results and comparisons with experimental data. We begin with an overview of the model and its predictions of explosive detonation properties, overdriven Hugoniot data, and Hugoniots for nonexplosive CHNO compounds. Next we discuss some Monte Carlo calculations of the EOS for mixtures in the pressure-temperature regime relevant to detonations. We also discuss several ways to estimate EOS parameters of formic acid, for which there are very few experimental data. We show that our EOS parameters are reasonable and that EOS uncertainties do not alter the fact that HCOOH is an important reaction product. Finally, we discuss some revisions to our model for the carbon EOS and phase diagram. The revised carbon EOS indicates that melting is partly responsible for the change in slope of the curve of TNT detonation velocity vs. density. 24 refs., 4 figs., 1 tab.
- Research Organization:
- Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
- DOE Contract Number:
- AC04-76DP00789
- OSTI ID:
- 5829688
- Report Number(s):
- SAND-88-2292C; CONF-890811-3; ON: DE89006770
- Resource Relation:
- Conference: 9. international symposium on detonation, Portland, OR, USA, 28 Aug - 1 Sep 1989; Other Information: Paper copy only, copy does not permit microfiche production
- Country of Publication:
- United States
- Language:
- English
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CARBON
EQUATIONS OF STATE
FORMIC ACID
BENZENE
CHEMICAL REACTIONS
DENSITY
DETONATIONS
EPOXIDES
MONTE CARLO METHOD
P CODES
PETN
PHASE DIAGRAMS
PMMA
POLYURETHANES
THEORETICAL DATA
TNT
AROMATICS
CARBOXYLIC ACIDS
CHEMICAL EXPLOSIVES
COMPUTER CODES
DATA
DIAGRAMS
ELEMENTS
EQUATIONS
ESTERS
EXPLOSIVES
HYDROCARBONS
INFORMATION
MATERIALS
MONOCARBOXYLIC ACIDS
NITRATES
NITRIC ACID ESTERS
NITRO COMPOUNDS
NITROGEN COMPOUNDS
NONMETALS
NUMERICAL DATA
ORGANIC ACIDS
ORGANIC COMPOUNDS
ORGANIC NITROGEN COMPOUNDS
ORGANIC OXYGEN COMPOUNDS
ORGANIC POLYMERS
OXYGEN COMPOUNDS
PETROCHEMICALS
PETROLEUM PRODUCTS
PHYSICAL PROPERTIES
PLASTICS
POLYACRYLATES
POLYAMIDES
POLYMERS
POLYVINYLS
SYNTHETIC MATERIALS
450100* - Military Technology
Weaponry
& National Defense- Chemical Explosions & Explosives