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 Aug 25;147(3):826-31. doi: 10.1016/j.jhazmat.2007.01.080. Epub 2007 Jan 30.
In this paper, a new approach is introduced to calculate detonation pressure of large class of explosives based elemental composition and specific structural groups rather than using their heats of formation. It is shown here how the loading density, atomic composition and some structural parameters can be integrated into an empirical formula for predicting the detonation pressure of pure and explosive formulations over a wide range of loading densities. The results show good agreement with experimental values so that the deviations are within about experimental errors. The calculated values of new method are also compared with the computed results obtained by complex computer code using BKWR and BKWS equations of state. Predicted detonation pressures have root-mean-square (rms) deviation for new method, BKWR and BKWS equations of state are 6.5, 11.7 and 7.4kbar, respectively.
本文介绍了一种新方法,该方法基于元素组成和特定结构基团而非生成热来计算一大类炸药的爆轰压力。本文展示了如何将装填密度、原子组成和一些结构参数整合到一个经验公式中,以预测在广泛装填密度范围内纯炸药和混合炸药配方的爆轰压力。结果表明与实验值吻合良好,偏差在实验误差范围内。新方法的计算值还与使用BKWR和BKWS状态方程的复杂计算机代码得到的计算结果进行了比较。新方法、BKWR和BKWS状态方程预测的爆轰压力的均方根(rms)偏差分别为6.5、11.7和7.4千巴。