PREDICTIVE MODEL FOR EXPLOSIVE DETONATION PARAMETERS

In this script is implemented the DEoS model, a predictive model of explosive detonation velocity and pressure based on first order approximation of the detonation velocity equation. Please see:

Predictive model of explosive detonation parameters from an equation of state based on detonation velocity. Fernando G. Bastante*, María Araújo* and Eduardo Giráldez*. [DOI: 10.1039/D2CP00085G Phys. Chem. Chem. Phys., 2022, 24, 8189-8195] (https://doi.org/10.1039/D2CP00085G)

*CINTECX, GESSMin Group, Department of Natural Resources and Environmental Engineering (EEME), University of Vigo, Pontevedra, Spain

Data Inputs (example in the script):

• name = "PBX9502" # the name of explosive without blanks
• rho = 1.90 # density in g/cc (must be >1g//cc)
• C = 2.30 # number of moles
• H = 2.23 # number of moles
• N = 2.21 # number of moles
• O = 2.21 # number of moles
• W = 3.81 # weight percent of other elements (Cl/F/P/Si % must be <10)
• HR = -205.5 # enthalpy standard of formation in cal/g (1 atm, 298 K)
• filename = "PBX9502_1.90" # filename for saving results

The script can read datainputs from cli...:

• python deos.py name rho C H N O W HR outputfilename

example:

• python deos.py PBX9502 1.90 2.30 2.23 2.21 2.21 3.81 -205.5 out_pbx9052

the units are:

•    ........  string, g/cc, mol, mol, mol, mol, %weight, cal/g, string
  

...or you can introduce them in the script

Some results 500 data

250 data

NQ

COMPOSITES RDX/TNT