CAJ | 학술논문

以5-硝基四唑钠盐二水合物为原料，经取代反应和硝化-水解反应两步合成出了2-偕二硝甲基-5-硝基四唑（HDNMNT），总收率51．89％，采用核磁共振谱、红外光谱和元素分析对其结构进行了表征。为了研究HDNMNT的性能，运用量子化学方法预估了HDNMNT的理论密度、固相生成焓和爆轰性能，并利用差示扫描量热法（ DSC）研究了其热稳定性。结果表明： HDNMNT理论密度高达1．88 g· cm-3，固相标准生成焓为273．0 kJ· mol-1，爆轰性能与 RDX 相当：爆速为8．732 km· s-1，爆压为35．4 GPa，但是热分解温度仅为120℃，热稳定性较差。
이5-초기사서납염이수합물위원료，경취대반응화초화-수해반응량보합성출료2-해이초갑기-5-초기사서（HDNMNT），총수솔51．89％，채용핵자공진보、홍외광보화원소분석대기결구진행료표정。위료연구HDNMNT적성능，운용양자화학방법예고료HDNMNT적이론밀도、고상생성함화폭굉성능，병이용차시소묘량열법（ DSC）연구료기열은정성。결과표명： HDNMNT이론밀도고체1．88 g· cm-3，고상표준생성함위273．0 kJ· mol-1，폭굉성능여 RDX 상당：폭속위8．732 km· s-1，폭압위35．4 GPa，단시열분해온도부위120℃，열은정성교차。
Using sodium 5-nitrotetrazolate dihydrate as starting material, 2-dinitromethyl-5-nitrotetrazole ( HDNMNT) was synthe-sized via the reactions of substitution and nitration-hydrolysis with a total yield of 51.89%.The structure of HDNMNT was charac-terized by means of 1 H NMR, 13 C NMR, Fourier Transform Infrared Spectroscopy( FTIR) and elemental analysis.In order to study the performance of HDNMNT, the density, enthalpy of formation and detonation parameters were calculated theoretically, the thermal stability was analyzed by the differential scanning calorimetry( DSC) method .Results show that the density of HDNMNT is up to 1.880 g· cm-3 , the enthalpy of formation is 273.0 kJ· mol-1 , and the detonation velocity and detonation pressure are 8.732 km· s-1 and 35.4 GPa, respectively, which can be camparative with RDX.However, the decomposition temperature of HDNMNT is only 120 ℃, showing a relatively poor thermal stability.