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.
出处
《石油化工》
EI
CAS
CSCD
北大核心
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)
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
extractive distillation
extractant
molecular design
azeotrope
separation
genetic algorithm
1 -butanol
butyl acetate
