两种新型2-偕二硝甲基-5-硝基四唑含能离子盐的合成、表征及性能预估

以氨基-1,2,4-三唑和2-偕二硝甲基-5-硝基四唑(HDNMNT)为原料,通过中和反应合成出两种新型含能离子盐——2-偕二硝甲基-5-硝基四唑3-氨基-1,2,4-三唑盐(3-ATDNMNT)和2-偕二硝甲基-5-硝基四唑4-氨基-1,2,4-三唑盐(4-ATDNMNT),收率分别为95.4%和96.7%;利用FT-IR、1 H NMR、13C NMR、15 N NMR及元素分析等方法对其结构进行表征;采用量子化学方法计算了3-ATDNMNT和4-ATDNMNT的爆轰性能;在标准状态下(膨胀比为70∶1),利用最小自由能原理,分别计算了两种离子盐在丁羟复合推进剂中的能量性能。结果表明,3-ATDNMNT的爆速和爆压分别为8.587km/s和33.58GPa,4-ATDNMNT的爆速和爆压分别为8.693km/s和34.31GPa。以3-ATDNMNT部分取代丁羟复合推进剂中的AP后,丁羟复合推进剂的理论比冲可达2 635.7N·s/kg。以4-ATDNMNT部分取代丁羟复合推进剂中的AP后,当HTPB、Al、AP及4-ATDNMNT各组分质量分数分别为10%、5%、15%及70%时,获得该丁羟复合推进剂的最高理论比冲为2 677.2N·s/kg。

Synthesis,Characterization and Performance Prediction of Two Kinds of Novel Energetic Ionic Salts of 2-Dinitromethyl-5-nitrotetrazolate

Two kinds of novel energetic ionic salts of 2-dinitromethyl-5-nitrotetrazolate 3-amino-1,2,4-triazole salt (3-ATDNMNT) and 2-dinitromethyl-5-nitrotetrazolate 4-amino-1,2,4-triazole salt (4-ATDNMNT),were synthesized via neutralization reaction using amino-1,2,4 triazole and 2-dinitromethyl-5-nitrotetrazolate(HDNMNT) as raw materials.Their yields were 95.4％ and 96.7％,respectively.Their structures were characterized by means of FT-IR,1 H NMR,13C NMR,15 N NMR and elemental analysis.The detonation performances of 3-ATDNMNT and 4-ATDNMNT were calculated by quantum chemical method.Under the standard condition(expansion ratio as 70 ∶ 1),the energy performances of hydroxyl terminated polybutadicne (HTPB) composite propellant containing two kinds of energetic ion salts were calculated by the principle of minimum free energy.The results show that the detonation velocity and the detonation pressure are 8.587 km/s and 33.58 GPa for 3-ATDNMNT and 8.693 km/s and 34.31 GPa for 4-ATDNMNT,respectively.After partly replacing AP with 3-ATDNMNT in HTPB propellant,the theoretical specific impulse of HTPB propellant is up to 2 635.7 N · s/kg.After partly replacing AP with 4-ATD-NMNT in HTPB propellant,the highest theoretical impulse of HTPB propellant is 2 677.2 N · s/kg,when the mass fractions of HTPB,Al,AP and 4-ATDNMNT are 10％,5％,15％ and 70％,respectively.