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Thermal Kinetics and Decomposition Mechanism of 1-Amino-1,2,3-triazolium Nitrate
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作者 DU Xujie LI Xiaodong YANG Rongjie LI Yuchuan PANG Siping 《Chemical Research in Chinese Universities》 SCIE CAS CSCD 2014年第1期130-136,共7页
The thermal decomposition kinetics of 1-amino-l,2,3-triazolium nitrate(ATZ-NO3) was investigated by non-isothermal TG-DTG at various heating rates(2,5,10,15 and 20 ℃/min).The results show that the thermal decompo... The thermal decomposition kinetics of 1-amino-l,2,3-triazolium nitrate(ATZ-NO3) was investigated by non-isothermal TG-DTG at various heating rates(2,5,10,15 and 20 ℃/min).The results show that the thermal decomposition of ATZ-NO3 consists of two stages corresponding to the losing of nitrate anion,substituent group and the splitting of triazole ring respectively.The kinetic triplets of the two stages were described by a three-step method.First,the differential Kissinger and intergral Ozawa methods were used to calculate the apparent activation energies(E) and pre-exponential factors(A) of the two decomposition stages.Second,two calculation methods(intergral (S)atava-(S)esták and differential Achar methods) were used to obtain several probable decomposition mechanism functions.Third,three judgment methods(average,double-extrapolation and Popescu methods) were used to confirm the most probable decomposition mechanism functions.Both reaction models of the two stages were randominto-nucleation and random-growth mechanisms with n=3/2 for the first stage and n=1/3,m=3 for the second stage.The kinetic equations for the two decomposition stages of ATZ-NO3 may be expressed as da/dt=1013.60·e-128970/RT(1-α)[-1n(1-α)]-1/2 and da/dt=1011.41·e-117370/RT(1-α)[-1n(1-α)]-2/3.The thermodynamic parameters including Gibbs free energy of activation(△G≠),entropy of activation(△S≠) and enthalpy of activation(△H≠),for the thermal decomposition reaction were also derived. 展开更多
关键词 1-amino-1 2 3-triazolium nitrate Thermal decomposition Thermal gravimetric analysis Non-isothermal kinetics Gibbs free energy of activation(△G≠) Kinetic triplets Compensation effect
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1-氨基-1,2,3-三唑硝酸盐的热分解动力学(英文) 被引量:3
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作者 杜旭杰 李晓东 +2 位作者 杨荣杰 李玉川 庞思平 《火炸药学报》 EI CAS CSCD 北大核心 2013年第5期22-28,48,共8页
在2、5、10、15和20℃·min-1线性升温条件下,用非等温TG-DTG技术分析了1-氨基-1,2,3-三唑硝酸盐((ATZ)(NO3))的热分解过程,研究了其热分解反应动力学,并提出热分解反应机理。结果表明,(ATZ)(NO3)的热分解过程可分为两个失重阶段。... 在2、5、10、15和20℃·min-1线性升温条件下,用非等温TG-DTG技术分析了1-氨基-1,2,3-三唑硝酸盐((ATZ)(NO3))的热分解过程,研究了其热分解反应动力学,并提出热分解反应机理。结果表明,(ATZ)(NO3)的热分解过程可分为两个失重阶段。动力学3因子(表观活化能E、指前因子A和机理函数)可通过3步最终确定。首先,用两种model-free方法(Kissinger法和Ozawa法)得到表观活化能E和指前因子A;然后用两种model-fitting方法(atava-esták法和Achar法)得到几种可能的分解机理函数;最后通过3种验证方法(atava法、双因子外推法和Popescu法)得到唯一的分解机理函数。(ATZ)(NO3)热分解两阶段的反应机理均为随机成核和随后生长模型,反应级数分别为n=3/2和n=1/3,m=3。(ATZ)(NO3)热分解两阶段的动力学方程分别为:dαdt=1013.60×e-128970RT(1-α)[-ln(1-α)]-12和dαdt=1011.40×e-117370RT(1-α)[-ln(1-α)]2/3。两阶段动力学补偿效应的数学表达式分别为:lgA=0.1213E-1.894和lgA=0.1149E-2.5426。 展开更多
关键词 物理化学 1-氨基-1 2 3-三唑硝酸盐((ATZ)(NO3)) 热分解 热重 非等温动力学 动力学补偿效应
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1-氨基-3-十二烷基-1,2,3-三唑硝酸盐的合成研究
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作者 蒋燕飞 叶志文 《爆破器材》 CAS 北大核心 2013年第5期6-12,共7页
以乙二醛、水合肼及溴代十二烷为原料,经加成—消除、环化、烷基化、复分解4步反应得到1-氨基-3-十二烷基-1,2,3-三唑硝酸盐。通过核磁、红外、质谱等分析手段对目标产物进行了结构表征。探索并优化了加成—消除、环化和烷基化反应条件... 以乙二醛、水合肼及溴代十二烷为原料,经加成—消除、环化、烷基化、复分解4步反应得到1-氨基-3-十二烷基-1,2,3-三唑硝酸盐。通过核磁、红外、质谱等分析手段对目标产物进行了结构表征。探索并优化了加成—消除、环化和烷基化反应条件。各步反应的最佳条件为:加成—消除反应中,n(水合肼)n(乙二醛)n(甲醇)=319,70℃反应5 h,收率为90.3%;环化反应中,m(二氧化锰)m(乙二腙)=21,20℃反应3h,收率为88.2%;烷基化反应中,n(1-氨基-1,2,3-三唑)n(溴代十二烷)=11.5,80℃反应40h,收率为64.5%;复分解反应易进行且得率高,反应3.5h,产率为80.4%,目标产物总收率为41.3%。 展开更多
关键词 含能表面活性剂 乙二醛双腙 1-氨基-3-十二烷基-1 2 3-三唑硝酸盐合成
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A facile synthesis of a novel energetic surfactant1-amino-3-dodecyl-1,2,3-triazolium nitrate 被引量:1
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作者 Xiao-Hui Zhao Zhi-Wen Ye 《Chinese Chemical Letters》 SCIE CAS CSCD 2014年第2期209-211,共3页
1-Amino-3-dodecyl-1,2,3-triazolium nitrate, as a novel energetic surfactant, has been synthesized in four steps, namely addition-elimination, cyclization, alkylation and metathesis. Its structure was confirmed by 1H N... 1-Amino-3-dodecyl-1,2,3-triazolium nitrate, as a novel energetic surfactant, has been synthesized in four steps, namely addition-elimination, cyclization, alkylation and metathesis. Its structure was confirmed by 1H NMR, IR, and MS. The effects of various reaction parameters, including stoichiometry, reaction temperature and time, were investigated in details. In addition, the physical and chemical properties of this energetic surfactant were measured. 展开更多
关键词 Energetic surfactant 1-amino-3-dodecyl-1 2 3-triazolium nitrate Synthesis Properties
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