自燃型三唑氰基硼烷复合物推进剂燃料的合成与性能  

Synthesis and Properties of N-alkytriazole-cyanoborane Propellant Fuels

作　　者：王晨斌 李兴业 陈甫雪 WANG Chen-bin;LI Xing-ye;CHEN Fu-xue(Beijing Institute of Technology School of Chemistry and Chemical Engineering,Beijing 100081,China)

机构地区：[1]北京理工大学化学与化工学院,北京100081

出　　处：《含能材料》2018年第11期931-936,共6页Chinese Journal of Energetic Materials

基　　金：国家自然科学基金资助(21772011)

摘　　要：为制备高密度、低粘度、高比冲、宽液态温度范围、热稳定性好的新颖推进剂燃料,以1,2,3?三唑为原料,在碱作用下与卤代烃发生N-烷基化反应,并与氯化氢气体成盐酸盐,该盐再与氰基硼氢化钠发生复分解反应,得到一系列新颖三唑氰基硼烷复合物。点火实验表明,该系列复合物可作为液体推进剂燃料。利用傅里叶变换红外光谱(FT?IR),核磁共振(~1H NMR、^(13)C NMR、^(11)B NMR)、高分辨质谱(HRMS)等对其结构进行了表征;分别利用差示扫描量热法(DSC)、排气法密度仪、粘度仪和高速摄影等,测定化合物的热分解温度、密度、粘度和点火延迟时间等性能;运用Gaussian 09软件、密度泛函理论(DFT)B3LYP/6?31++G(d,p)基组优化化合物结构,并基于此优化结构计算化合物的生成焓,据此运用Explo5 v6.02软件计算其理论比冲。结果表明,1?丙基三唑氰基硼烷复合物(3)的生成焓为1.5 k J·g^(-1),具有最短的点火延迟时间(12 ms),密度1.024 g?cm^(-3),熔点低于-70℃,热分解起始温度达233℃(onset),粘度16 m Pa?s,理论比冲为201.7 s,密度比冲达357 s?g?cm^(-3)。To develop novel hypergolic propellant fuels with high density,low viscosity,wide liquid temperature range,high specific impulse,and high decomposition temperature,a series of N-alkyltriazole cyanoborane complexes were prepared in a straight forward way by treating N-substituted triazoles hydrogen chloride salts and NaBH3CN.The synthesized compounds were characterized by IR,NMR and HRMS for their structures,and measured by differential scanning calorimetry(DSC),densimeter and viscometer for their thermostability,density,viscosity and ID.On the other hand,Gaussian 09 was used to optimize the crystal structure and calculate the formation enthalpy,based on which Explo5 v6.02 was employed to predict the theoretical specific impulse.Four out of five compounds were found to be liquid at room temperature and proved to be hypergolic with white fuming nitric acid(WFNA)by the droplet test.Especially,N-Propyl-1,2,3-triazole cyanoborane complex(3)demonstrated attractive properties such as short ID time(12 ms),high density(1.024 g.cm^-3),good thermostability(Td=233℃,onset),good Isp(201.7 s)andρI sp(357 s.g.cm^-3),super low viscosity(16 mPa.s)and wide liquid range(Tm<-70℃),showing the promising application potential as a propellant fuel candidate.

关 键 词：合成 氰基硼烷复合物 液体推进剂 硼烷燃料 

分 类 号：V511[航空宇航科学与技术—航空宇航推进理论与工程] O62[理学—有机化学]