Keshavarz Mohammad Hossein, Pouretedal Hamid Reza, Semnani Abolfazl
Department of Chemistry, Malek-ashtar University of Technology, Shahin-shahr, Islamic Republic of Iran.
J Hazard Mater. 2009 Aug 15;167(1-3):461-6. doi: 10.1016/j.jhazmat.2009.01.009. Epub 2009 Jan 15.
For nitramines, a general correlation has been introduced to predict electric spark sensitivity through detonation pressure. New method uses maximum obtainable detonation pressure as a fundamental relation so that it can be corrected for some nitramines which have some specific molecular structure. There is no need to use crystal density and heat of formation of nitramine explosives for predicting detonation pressure and electric spark sensitivity. The predicted electric spark sensitivities are compared with calculated results on the basis of quantum mechanical computations for some nitramines that latter can be applied. The root mean square (rms) deviations from experiment for new method and the predicted results of complicated quantum mechanical method are 1.18 and 3.49J, respectively.
对于硝胺类化合物,已引入一种通用关联式,通过爆轰压力来预测电火花感度。新方法将可获得的最大爆轰压力用作基本关系,以便对某些具有特定分子结构的硝胺类化合物进行校正。预测爆轰压力和电火花感度时,无需使用硝胺炸药的晶体密度和生成热。对于一些适用的硝胺类化合物,将新方法预测的电火花感度与基于量子力学计算的结果进行了比较。新方法和复杂量子力学方法预测结果与实验的均方根(rms)偏差分别为1.18J和3.49J。