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
