Keshavarz Mohammad Hossein, Pouretedal Hamid Reza
Department of Chemistry, Malek-ashtar University of Technology, Shahin-shahr, Islamic Republic of Iran.
J Hazard Mater. 2009 Sep 30;169(1-3):158-69. doi: 10.1016/j.jhazmat.2009.03.091. Epub 2009 Mar 27.
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.
在这项工作中,提出了一种新的简单方法来估算三类重要炸药的晶体密度,这三类炸药包括硝基脂肪烃、硝酸酯和硝胺。该方法能够可靠地预测上述化合物的爆轰性能。它使用了一种新的通用关联式,其中包含重要的炸药参数,如碳、氢、氮的数量以及另外两个结构参数。将预测结果与不同类含能化合物的现有最佳方法的结果进行了比较。该方法还针对各种具有复杂分子结构的炸药进行了测试。结果表明,相对于已充分发展的最佳简单方法,预测结果更可靠。