1，1′-二羟基-5，5′-联四唑二羟胺盐理论爆速的计算

摘要

利用自编 FORTRAIN 程序，基于 BKW 方程计算了1，1′-二羟基-5，5′-联四唑二羟胺盐（HATO）的爆速；利用 Gaussian 软件（V09）中的完全基组方法（CBS-4M）计算了 HATO 的生成焓，再使用 Kamlet-Jacbos 公式预估了HATO 的爆速；制备了尺寸为Φ30 mm×30 mm 的5种密度 HATO 混合炸药药柱，并按照 GJB772A-97702．1方法测试了其爆速，然后根据 Urizar 公式计算了 HATO 的理论爆速。结果表明，采用这3种方法计算得到的 HATO的理论爆速分别为9441、9186和9432 m／s，表明自编 FORTRAIN 程序的爆速计算结果可靠，而采用 Gaussian 软件的爆速计算结果偏低。%Detonation velocity of dihydroxylammonium 5,5′-bistetrazole-1,1′-diolate(HATO)was calculated using self-edited FORTRAIN program based on BKW equation of state,and the enthalpy of formation of HATO was calculated by Gaussian software (V09)according to Complete Basis Set method (CBS-4M).The detonation velocity was estimated using Kamlet-Jacbos formula.The HATO mixed explosive cylinders of Φ30 mm×30 mm size with 5 kinds of densities were prepared,and the detonation velocities were determined according to GJB772A-97 702.1 method.The characteristic detonation velocity of HATO was calculated according to Urizar formula.The results show that theory detonation velocity of HATO obtained by the above mentioned three kinds of methods are 9 441,9 186 and 9 432 m/s,respectively,showing that the detonation velocity calculated by self-designed FORTRAIN program is reliable and the result that calculated by Gaussian software is lower.