A method for identifying the eutectic structure of explosives
An identification method and crystal structure technology, applied in Raman scattering, material excitation analysis, etc., can solve the problems of weak vibration frequency of Raman spectrum and difficult distinction of Raman peaks, etc., and achieve the effect of simple operation and simple principle
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Embodiment 1
[0036] First, take the pure sample of ε-crystal form CL-20 and the pure sample of BTF and mix them in equal proportions. And the eutectic sample was prepared by using the eutectic explosive preparation method reported in the literature. Weigh 3-5mg of CL-20 pure sample and BTF pure sample respectively and stick them on the stage of Fourier Raman spectrometer, keep the surface of the samples flat, and directly conduct Raman test to obtain the Raman 2000-200cm of explosives CL-20 and BTF -1 Spectrum, and the mixed sample was subjected to Raman characterization in turn. From the Raman spectrum of the mixed sample, it can be seen that there are two characteristic Raman peaks of explosives, and the peak position does not move or split. Through analysis, it can be seen that the two There is no interaction between them.
[0037] According to the density functional theory (DFT), the structure optimization and vibration form simulation of the simple explosive CL-20 etc. were carried o...
Embodiment 2
[0047] First, take the pure sample of explosive TNT and the pure sample of ε-crystal form CL-20 and mix them in equal proportions. The total amount of each part is 0.2g, and two sets of samples are made. uniform. Weigh 3-5 mg of pure sample and stick it on the stage of Fourier Raman spectrometer, keep the surface of the sample flat, and directly conduct Raman test to obtain the Raman 2000-200cm of explosives CL-20 and TNT -1 Spectrum, and the mixed sample was subjected to Raman characterization in turn. The mixed sample can be seen to have two characteristic Raman peaks of explosives, and the peak position does not move or split. Through analysis, it can be seen that there is no interaction between the two .
[0048] According to the density functional theory (DFT), the structural optimization and vibration form simulation of the simple explosive TNT etc. are carried out, and the molecular configuration is constructed through GaussView 5.0 as follows Figure 5 shown by Fig...
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