A reliable simple method to estimate density of nitroaliphatics, nitrate esters and nitramines.
In this work, a new simple method is presented to estimate crystal density of three important classes of explosives including nitroalphatics, nitrate esters and nitramines. This method allows reliable prediction of detonation performance for the above compounds. It uses a new general correlation containing important explosive parameters such as the number of carbon, hydrogen, nitrogen and two other structural parameters. The predicted results are compared to the results of best available methods for different family of energetic compounds. This method is also tested for various explosives with complex molecular structures. It is shown that the predicted results are more reliable with respect to the best well-developed simple methods.
Department of Chemistry, Malek-ashtar University of Technology, Shahin-shahr, Islamic Republic of Iran. mhkeshavarz@mut-es.ac.ir
Mohammad Hossein
MH
Keshavarz
Hamid Reza
HR
Pouretedal
D000814:Aniline Compounds / Q000737:chemistry*; D003460:Crystallization; D004952:Esters / Q000737:chemistry; D053834:Explosive Agents / Q000737:chemistry*; D008722:Methods; D008956:Models, Chemical; D015394:Molecular Structure; D009566:Nitrates / Q000737:chemistry*; D009578:Nitrobenzenes / Q000737:chemistry*
D000814:Aniline Compounds; D004952:Esters; D053834:Explosive Agents; D009566:Nitrates; D009578:Nitrobenzenes; C015384:nitramine