丁醇-醋酸丁酯共沸物系萃取精馏萃取剂的分子设计  

Molecular Design of Extractant for Extractive Distillation of 1-Butanol-Butyl Acetate Azeotrope System

作　　者：李春利[1] 李彦芬[1] 杨振生[1] 刘长江[1] 李建慈[1] 郭章红[1] 

机构地区：[1]河北工业大学化学工程研究所,天津300130

出　　处：《石油化工》2006年第11期1100-1104,共5页Petrochemical Technology

基　　金：河北省自然科学基金资助项目(B2006000018)

摘　　要：基于遗传算法思想提出了一种有效的分子设计方法,针对丁醇-醋酸丁酯共沸物系的萃取精馏萃取剂选择问题进行了分子设计,经比较筛选出塔顶产物分别是醋酸丁酯和丁醇时的较佳萃取剂为1,3-丙二醇和硝基丁烷。分别以1,3-丙二醇和硝基丁烷为萃取剂,应用精馏过程模拟软件ProⅡ确定了萃取精馏流程及相应的工艺操作条件;通过对比两种流程的塔设备、能耗、操作条件、产品等方面,认为1,3-丙二醇是分离丁醇-醋酸丁酯共沸物系的较适宜萃取剂。模拟计算结果表明,该分子设计方法是有效的,能为工业生产提供理论基础。A computer-aided molecular design （CAMD）method based on genetic algorithm was proposed to design extractant molecule for extractive distillation of 1-butanol-butyl acetate azeotrope system. By comparing separation performances and physicochemical characteristics of various compounds, 1,3-propylene glycol and 1-nitrobutane were chosen as appropriate extractants for the system and butyl acetate and 1-butanol as separate distillates. Two different extractive distillation processes were designed by using Pro Ⅱ software. Comparing with 1-nitrobutane process, 1,3- propylene glycol process possesses some major advantages. The number of theoretical plates and energy consumption decrease, purities of products rise and extractant recovery is simple. So 1,3-propylene glycol is a suitable extractant for extractive distillation of 1-butanol-butyl acetate azeotrope system. The simulation shows that CAMD is vigorous and can be applied in design of commercial process.

关 键 词：萃取精馏 萃取剂 分子设计 共沸 分离 遗传算法 丁醇 醋酸丁酯 

分 类 号：TQ028.3[化学工程]