摘要
制备了5,5′-联四唑-1,1′-二氧铯配合物([Cs2(BTO)]n),以X射线衍射仪测定了单晶结构。结果表明,该晶体属于正交晶系,空间群为Pbca(61),晶体学参数a=1.1452(7)nm,b=1.15566(7)nm,c=1.31827(7)nm,V=17.4476(18)nm3,z=8,D=3.3036g/cm^3。考察了[Cs2(BTO)]n的热稳定性,采用差热-热重分析仪(DTA-TG)、加速绝热量热仪(ARC)测定了其热分解过程,获得了[Cs2(BTO)]n非等温条件下的动力学参数及热分解机理和绝热条件下分解的温度、压力、温升速率等随时间的变化曲线以及温升速率,分解压力随温度的变化曲线。修正后绝热分解过程的初始温升速率为30.01℃/min,绝热温升为1242.55℃。体系最高放热温度和最大压力分别为306.1℃和6.45kPa,根据测试数据计算出分解反应动力学参数和反应机理函数:表观活化能(Ea)为429.7kJ/mol,指前因子(A)为5.66×10^33s^-1,反应机理函数为f(α)=3(1-α)^2/3。
Cesium complex of 5,5′-bistetrazole-1,1′-diolate([Cs2(BTO)]n)was prepared,the single crystal structure was determined by X-ray diffractometer.The results shown that the crystal was orthorhombic belonging to space group of Pbca(61)with crystal parameters of the unit cell dimensions:a=1.1452(7)nm,b=1.15566(7)nm,c=1.31827(7)nm,V=17.4476(18)nm^3,z=8,D=3.3036g/cm^3.To explore the stability of cesium 5,5′-bistetrazole-1,1′-diolate,the decomposition process of[Cs2(BTO)]n was studied by differential thermal analysis-thermal gravity(DTA-TG)and accelerating rate calorimeter(ARC).The thermal decomposition mechanism and kinetics parameters of[Cs2(BTO)]n under non-isothermal and the decomposition temperature,pressure and temperature rise rate versus time curves,and pressure and temperature rise rate versus temperature curves were obtained.The revised initial temperature rise rat for adiabatic thermal decomposition process of[Cs2(BTO)]n was 30.01℃,diabatic temperature rise 1242.55℃,the maximum exothermic temperature and pressure of the reaction system were 306.1℃and 6.45kPa.The apparent activation energy,pre-exponential factor were obtained according to test data,Ea was 429.7 kJ/mol,A was 5.66×10^33s^-1 and reaction mechanism function was f(α)=3(1-α)^2/3.
作者
王小军
张晓鹏
徐子帅
Wang Xiaojun;Zhang Xiaopeng;Xu Zishuai(Research Institute of Gan Su Yin Guang Chemical Industry Group,Baiyin 730900;College of Materials Science and Engineering,Beijing Institute of Technology,Beijing 100081)
出处
《化工新型材料》
CAS
CSCD
北大核心
2019年第10期144-148,共5页
New Chemical Materials
关键词
5
5′-联四唑-1
1′-二氧铯配合物
晶体结构
绝热分解
热分解动力学
cesium 5,5′-bistetrazole-1
1′-diolate
crystal structure
adiabatic thermal decomposition
thermal decomposition kinetics
