Research On The Crystallization Of The New High Explosive TKX-50

Dihydroxylammonium5,5′-bistetrazole-1,1′-diolate (TKX-50) is a kind of insensitivehigh energetic ionic salts of tetrazoles, the performance is better than HMX and close toCL-20, is expected to be used as a substitute of RDX. This paper aimed at the existing inproduction of crystal morphology is poorer, and the problems of uneven distribution ofparticle size, the crystallization process of TKX-50was systematically studied.The second chapter for TKX-50crystal morphology research. Based on TKX-50X-raysingle crystal diffraction data, by applying the Material Studio software by BFDH model, theGrowth Morphology model and Equilibrium Morphology model of TKX-50vacuumconditions possible simulations to predict the theory of crystal Morphology.The third chapter for TKX-50crystallization thermodynamics research. Measured bydynamic method TKX-50under the different temperature in the solvent of water and thesolubility of dimethyl sulfoxide; By high performance liquid chromatography (HPLC)method for the determination of process in the process of crystallization method provides thethermodynamic basic data required.The fourth chapter TKX-50crystallization kinetics study. Through the use of theMaterial studio Growth Morphology model and the method of correction attached to TKX-50crystals in the water, dimethyl sulfoxide, dimethyl formamide and N-methyl pyrrolidoneenvironments crystal morphology is forecasted, the result and the actual can well.The fifth chapter TKX-50crystallization experiment research. Combining with thecharacteristics of TKX-50crystal growth and crystallization thermodynamics and kineticsdata, according to different the nature of the solvent, selected the suitable crystallizationmethod, determines the is expected to achieve TKX-50of spherical solvent system andbinary solvent system. The sixth chapter TKX-50research process for the ball. Looked at a variety of operatingfactors in the process of the experiment on the crystallization process of TKX-50, theinfluence of the identified TKX-50spherical optimum operating conditions. The resultsshowed that ultrasonic can improve TKX-50crystal morphology, particle size distribution,improve the quality of the products. The research results can provide the basis for furtherindustrialized production.The above research contents are not seen related literature reports.