Keshavarz Mohammad Hossein
Department of Chemistry, Malek-ashtar University of Technology, Shahin-shahr P.O. Box 83145/115, Islamic Republic of Iran.
J Hazard Mater. 2007 Sep 30;148(3):648-52. doi: 10.1016/j.jhazmat.2007.03.022. Epub 2007 Mar 12.
This paper describes a new method for prediction of impact sensitivity of nitroaliphatic, nitroaliphatic containing other functional groups and nitrate explosives. The new procedure is based on some structural parameters of C(a)H(b)N(c)O(d) explosives. Three essential parameters would be needed in this scheme which contain a+b/2-d and the number of nitrogens as well as the number of RC(NO(2))(2)CH(2) structural parameters attached to oxygen of carboxylate functional groups where R is alkyl groups. The results are compared with experimental data and some empirical correlations. Predicted impact sensitivities for 58 explosives have a root mean square (rms) of deviation from experiment of 27 cm, which show good agreement with respect to measured values as compared to previous empirical models.
本文描述了一种预测脂肪族硝基化合物、含其他官能团的脂肪族硝基化合物及硝酸盐炸药撞击感度的新方法。新方法基于C(a)H(b)N(c)O(d)炸药的一些结构参数。该方案需要三个基本参数,包括a + b/2 - d、氮原子数以及连接在羧基官能团氧原子上的RC(NO(2))(2)CH(2)结构参数的数量,其中R为烷基。将结果与实验数据及一些经验关联进行了比较。58种炸药的预测撞击感度与实验值的均方根偏差为27厘米,与先前的经验模型相比,与测量值显示出良好的一致性。