摘要
采用硝酸法合成硝基胍,考察了不同反应温度、反应时间下的各反应组分物质的量。通过Chem CAD动态反应模拟及速率回归计算程序对实验数据进行回归计算,得到硝基胍合成反应的主副反应级数分别为1.889 4和1.851 5,主副反应活化能分别为16 001.300 7 J/mol和18 312.244 3 J/mol,主副反应频率因子分别为2.223 1 s-1和0.034 6 s-1,并通过线性化处理建立了硝基胍反应动力学模型。利用动态模拟计算对反应动力学模型进行验证,证明得到的反应动力学模型能准确描述硝基胍硝化反应过程,模拟计算结果与实验结果的相对误差不超过0.8%。通过反应动力学模型得出温度适当降低、硝酸胍初始浓度升高同时减小浓硝酸浓度会有利于反应选择性的提高。
Nitroguanidine was synthesized by nitrate method, and the mole amount of each reaction component under different reaction time and temperature was investigated. Based on ChemCAD dynamic simulation and the rate regression program, the regression calculation of experimental data was done. And the parameters of the main reaction and the side reaction were obtained, the reaction order as 1. 889 4 and 1. 851 5, the activation energy as 16001.300 7 J/mol and 18 312. 244 3 J/mol, and the frequency factor as 2. 223 1 s-land 0.034 6 s-l, respectively. The nitroguanidine reaction kinetic model was established through the data linear processing. And the model was verified by dynamic simulation. The results show that the obtained reaction kinetic model can accurately describe the nitrification process of nitroguanidine, and the relative error between the simulation result and the experimental result is less than 0. 8%. According to the kinetic model, the proper reduction of reaction temperature, the increase of initial nitroguanidine concentration and the decrease of nitric acid concentration are beneficial to the improvement of reaction selectivity.
出处
《化学工程》
CAS
CSCD
北大核心
2015年第11期56-59,共4页
Chemical Engineering(China)
基金
基础产品创新火炸药专项
关键词
动力学模型
硝基胍
硝酸法
动态模拟
硝化反应
kinetic model
nitroguanidine
nitrate method
dynamic simulation
nitrification reaction
