title: Prediction of detonation performance of CHNO and CHNOAl explosives through molecular structure.
abstract: A new pathway has been introduced to predict detonation pressure of CHNO and CHNOAl explosives. Although aluminized explosives can have Chapman-Jouguet detonation performance significantly different from those expected from existing thermodynamic computer codes for equilibrium and steady state calculations, new correlation can also be used here. Molecular structures of CHNO and CHNOAl explosives are the only necessary parameters that would be needed in this new scheme. There is no need to use heat of formation or any experimental data. Besides, elemental compositions of CHNO and CHNOAl explosives rather than assumed detonation products are essential input parameters. Predicted detonation pressures for CHNO explosives are compared with experimental data as well as computed results gained by complicated computer code using BKWR and BKWS equations of state so the new method shows the best results. Also, the calculated results for CHNOAl explosives indicate good agreement with the measured data as compared to estimated results of BKWS-EOS using full and partial equilibrium.
authors.affiliation: Department of Chemistry, Malek-ashtar University of Technology, Shahin-shahr, P.O. Box 83145/115, Islamic Republic of Iran. mhkeshavarz@mut-es.ac.ir
authors.forename: Mohammad Hossein
authors.initials: MH
authors.lastname: Keshavarz
mesh_terms: D005107:Explosions; D053834:Explosive Agents / Q000737:chemistry*; D008422:Materials Testing; D015394:Molecular Structure; D009574:Nitro Compounds / Q000737:chemistry*; D011312:Pressure; D013329:Structure-Activity Relationship
chemical_list: D053834:Explosive Agents; D009574:Nitro Compounds