title: New method for calculating densities of nitroaromatic explosive compounds.
abstract: A new model has been introduced for simple calculation of crystal density of an important class of organic explosives, namely nitroaromatic energetic compounds. This model is based on the fundamental correlation. The introduced procedure has been applied to 60 well-known and new synthesized organic nitroaromatic explosives. The results show that the present method gives comparable prediction respect to well-developed group additivity method for estimation of crystal density of organic explosives. The introduced simple method can be applied to any complex nitroaromatic explosive that contains the elements of carbon, hydrogen, nitrogen and oxygen with no difficulties.
authors.affiliation: Department of Chemistry, Malek-ashtar University of Technology, Shahin-shahr, P.O. Box 83145/115, Islamic Republic of Iran. mhkir@yahoo.com
authors.forename: Mohammad Hossein
authors.initials: MH
authors.lastname: Keshavarz
mesh_terms: D003460:Crystallization; D053834:Explosive Agents / Q000737:chemistry*; D006841:Hydrocarbons, Aromatic / Q000737:chemistry*; D008422:Materials Testing / Q000379:methods*; D008956:Models, Chemical; D015394:Molecular Structure; D009574:Nitro Compounds / Q000737:chemistry*
chemical_list: D053834:Explosive Agents; D006841:Hydrocarbons, Aromatic; D009574:Nitro Compounds