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Structural and Thermal Characteristics of a High-Nitrogen Energetic Material: G(AHDNE)

机译:高氮含能材料的结构和热特性:G(AHDNE)

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摘要

A high-nitrogen energetic salt, l-amino-1-hydrazino-2,2-dinitroethylene guanidine salt [G(AHDNE)], was synthesized by reacting of 1 -amino-1 -hydrazino-2,2-dinitroethylene (AHDNE) and guanidine hydrochloride in sodium hydroxide aqueous solution. The theoretical investigation on G(AHDNE) was carried out by B3LYP/ 6-311+G* method. The thermal behaviors of G(AHDNE) were studied with DSC and TG-DTG methods, and the result presents an intense exothermic decomposition process. The enthalpy, apparent activation energy and pre-exponential constant of the process are -1060 J g~(-1),148.7 kJ mol~(-1) and 10~(15.90) s~(-1), respectively. The critical temperature of thermal explosion of G(AHDNE) is 152.63 °C. The specific heat capacity of G(AHDNE) was studied with micro-DSC method and theoretical calculation method, and the molar heat capacity is 314.69 J mol~(-1) K~(-1) at 298.15 K. Adiabatic time-to-explosion of G(AHDNE) was calculated to be a certain value between 60-72 s. The detonation velocity and detonation pressure were also estimated. G(AHDNE) presents good performances.
机译:通过1-氨基-1-肼基-2,2-二硝基乙烯(AHDNE)的反应合成了高氮高能盐,l-氨基-1-肼基-2,2-二硝基乙烯胍盐[G(AHDNE)]。和盐酸胍在氢氧化钠水溶液中。通过B3LYP / 6-311 + G *法对G(AHDNE)进行了理论研究。用DSC和TG-DTG方法研究了G(AHDNE)的热行为,结果显示了强烈的放热分解过程。该过程的焓,表观活化能和指数前常数分别为-1060 J g〜(-1),148.7 kJ mol〜(-1)和10〜(15.90)s〜(-1)。 G(AHDNE)的热爆炸临界温度为152.63°C。用micro-DSC法和理论计算方法研究了G(AHDNE)的比热容,在298.15 K时的摩尔热容为314.69 J mol〜(-1)K〜(-1)。 G(AHDNE)的爆炸计算为60-72 s之间的某个值。还估计了爆震速度和爆震压力。 G(AHDNE)表现出色。

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