3-氨基-4-酰胺肟基呋咱合成过程动态模拟  

Dynamic simulation of 3-amino-4-amidoximinofuroxan composed process

作　　者：金建平[1] 周彦水[1] 席伟[1] 张志忠[1] 周诚[1] 

机构地区：[1]西安近代化学研究所,陕西西安710065

出　　处：《化工进展》2010年第S2期111-114,共4页Chemical Industry and Engineering Progress

基　　金：国家重大专项基础研究项目(2371000415)

摘　　要：利用ChemCAD间歇动态反应器模块,根据3,4-二硝基呋咱基氧化呋咱(DNTF)中间体3-氨基-4-酰胺肟基呋咱(AAOF)合成反应实际情况,建立新化合物基础物性数据模型,在采集合成实验数据的基础上,定义工艺模拟流程,输入反应器的模型参数,建立合成动态反应器模型,进行3-氨基-4-酰胺肟基呋咱合成过程动态模拟,得到动态反应器内各组分、热负荷随时间的变化情况和实时数据。计算表明,模拟结果同实验小试的结果相吻合,能够很好地反映合成实际情况,且具有较好的动态特性。通过模拟来分析和考察其合成工艺中相关的复杂物理、化学反应、动力学反应、热量平衡,解释合成实验数据,本研究对AAOF的工艺放大和工程化设计具有十分重要的意义和实用价值。According to the fact situation of the 3-amino-4-amidoximinofuroxan composed reaction,the craftwork simulation in flow was defined,on the basis of collecting experiment data,the parameter of reactor model was inputted,and the model of the 3-amino-4-amidoximinofuroxan composed dynamic batch reactor was found by use of the intermission Batch Reactor(Dynamic)module in ChemCAD.Calculation indicated that the result of simulation was the same with the real fact,and reflected the composed situation perfectly,with the well dynamic feature.Investigating and analyzing compose craftwork relation with complicated physical reaction,chemical reaction,dynamical reaction,and heat balance,through simulation,while the composed experiment has a big significance for pilot-scale chemical reaction and engineering design.

关 键 词：CHEMCAD 动态模拟 3-氨基-4-酰胺肟基呋咱 流程模拟 

分 类 号：TQ25[化学工程—有机化工]