用CHEMCAD对3_4_二氨基呋咱基氧化呋咱合成的反应动力学模型.pdf

34 1 火 炸 药 学 报 2 0 1 1 2 Chinese Journal of Explosives Propellants 37 3, 4 金建平, 周彦水, 罗志龙, 张志忠, 周 诚, 陈 超 ( , 710065) : 343, 4, ChemCAD , , , 3, 4, 1% , 3, 4 , AAOF , : ; ; 3, 4; 34; ChemCAD :TJ55; T Q226 : A :2011) Kinetic Model of Synthesizing 3,4Diaminofurazanofuroxan JIN Jian ing, ZH OU Yanshui, LUO Zhilong, ZH ANG Zhizhong, ZHOU Cheng, CH EN Chao ( Xian Modern Chemist ry Research Institute, Xian 710065, China) bstract: T he 3, 4diam inofurazanofuroxan w as synthesized with 3aminofurazane4carboxamidoxime as raw mate rial, the effects of the concent ration of reagent, reaction tem erature and react ion time in the reaction system on the reaction rate were invest igated. According to the regression calculation of the ex erimental data w ith Batch reactor kinetic rate regression by ChemCAD and the rate equat ion rocessed by linearization, the react ion order, reaction ac tivation energy and frequency factor w ere received and t he kinetic model of DAFF synthesis w as set u . T he relative error between the ex erimental value w ith calculated one w as less than 1% through analyzing the error of t he kinet ic model, show ing that kinet ic equat ion and kinet ic arameters w ere consistent w ith the reaction kinetic behavior. The conversion rate and selectivity can be im roved by the inhibition of side react ions through decreasing the t em erat ure of the reaction, increasing the concentration of the original material, reducing the concentrat ion of the sulfuric acid, and using the batch o eration model w ith st age addit ion. Key words: hysical chemistry; dynamic simulation; 3, 4diaminofurazanofuroxan; 3aminofurazane4carboxamidoxime; ChemCAD