Accession Number : ADA307323

Title :   Chemical Equilibrium Calculations for Detonation Products.

Descriptive Note : Technical rept.,

Corporate Author : DEFENCE SCIENCE AND TECHNOLOGY ORGANIZATION CANBERRA (AUSTRALIA)

Personal Author(s) : Borg, Rodney A. ; Kemister, Gary ; Jones, David A.

PDF Url : ADA307323

Report Date : OCT 1995

Pagination or Media Count : 50

Abstract : We present a detailed description of the development, implementation, and application of a computer program to calculate the detonation parameters of condensed phase explosives. The code is based on Mader's BKW chemical equilibrium code, but contains important new features. A new algorithm to calculate the minimum in the free energy of the product composition has been included. This is a probabilistic algorithm, based on the method of Benke and Skinner, and its inclusion ensures that the true global minimum in the free energy will always be found. As well as the BKW equation of state to describe the detonation products, the new code also includes the JCZ3 equation of state. This is an intermolecular equation of state containing no adjustable parameters, and hence should be applicable to a wider range of explosives than could be considered using the BKW code. We have validated the code on a wide range of military explosives, using both the new probabilistic minimisation algorithm as well as the original method of steepest descent, for both the BKW and JCZ3 equations of state. We also present a detailed description of the application of the code to the non-ideal underwater explosive PBXN-111, and show that the performance of the explosive is best described using the JCZ3 equation of state.

Descriptors :   *RDX, *TNT, *CHEMICAL EQUILIBRIUM, *DETONATIONS, VELOCITY, PRESSURE GRADIENTS, COMPUTER PROGRAMS, MATHEMATICAL MODELS, ALGORITHMS, OPTIMIZATION, STOCHASTIC PROCESSES, PARAMETERS, PROBABILITY, ACCURACY, CHEMICAL COMPOSITION, TEMPERATURE GRADIENTS, PARTIAL DIFFERENTIAL EQUATIONS, HYDRODYNAMIC CODES, MOLECULE MOLECULE INTERACTIONS, SUBROUTINES, AUSTRALIA, FREE ENERGY, PYRIDINES, EQUATIONS OF STATE, NITROBENZENES, NITRATES, EXTRAPOLATION, HMX, PETN, COMBUSTION PRODUCTS, STEEPEST DESCENT METHOD, UNDERWATER ORDNANCE.

Subject Categories : Ammunition and Explosives

Distribution Statement : APPROVED FOR PUBLIC RELEASE