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一种求解混合整数非线性规划问题的混合优化方法
  • ISSN号：1001-4160
  • 期刊名称：《计算机与应用化学》
  • 时间：0
  • 分类：TQ013.2[化学工程] TQ243[化学工程—有机化工]
  • 作者机构：[1]华东理工大学化学工程联合国家重点实验室,上海200237
  • 相关基金：教育部留学回国人员科研启动基金项目; 国家自然科学基金项目（61333010）; 高等学校学科创新引智计划项目（B08021）
作者： 林越峰[1], 蒋达[2], 杜文莉[1]
关键词： 异丙苯, 氧化, 反应动力学, 过氧化氢异丙苯, 参数估值, isopropyl benzene, oxidation, reaction kinetics, isopropyl benzene hydroperoxide, parameter estimation
中文摘要：

研究了非催化条件下异丙苯（IPB）液相氧化主副反应动力学,包括主要副产物α-甲基苄醇（MBA）和苯乙酮（ACP）生成规律以及重要链终止产物ROOR（DCP）的分解反应路径。基于烃类链式自由基反应机理,建立了包含反应物IPB、主产物过氧化氢异丙苯（IPBHP）、副产物MBA、ACP以及链终止产物DCP的反应动力学模型。动力学模型预测结果与实验数据吻合良好。通过对373~404 K下实验数据的拟合,得到了不同温度下各基元反应速率常数和活化能。模拟计算表明,两个副反应活化能均大于主反应;链终止产物DCP的分解反应通过氧气的参与进行。研究结果可为异丙苯液相氧化工业反应过程的设计和优化提供基础参数,并且有利于深化对烷基芳烃液相氧化反应机理的认识。

英文摘要：

Both main and side reaction kinetics of non-catalytic peroxidation of liquid phase isopropyl benzene （IPB） were investigated, including byproduct formation such asα-methyl benzyl alchohol （MBA） and acetophenone （ACP）, and decomposition pathway of ROOR （DCP）. Based on free radical chain reaction mechanism, a kinetic model was developed, in which IPB hydroperoxide （IPBHP）, MBA, ACP and DCP were considered. The prediction by this kinetic model is agreed well with the experimental data, if the rate constants were used which were obtained by fitting of the experimental data at 373—404 K. The activation energies estimated were larger for all side reactions than for the main reaction. DCP decomposition requires the presence of oxygen. These data obtained could be helpful for deep understand of the reaction mechanism of liquid phase of alkyl aromatics and could be used as the fundamental data for design and optimization of industrial liquid phase oxidation of IPB.

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期刊信息
  • 《计算机与应用化学》
  • 北大核心期刊（2011版）
  • 主管单位:中国科学院
  • 主办单位:中国科学院过程工程研究所
  • 主编：王基铭
  • 地址：北京中关村北二街1号
  • 邮编：100080
  • 邮箱：jshx@home.ipe.ac.cn
  • 电话：010-62558482
  • 国际标准刊号：ISSN：1001-4160
  • 国内统一刊号：ISSN：11-3763/TP
  • 邮发代号:82-500
  • 获奖情况:
  • 1991年中国科学院优秀期刊三等奖,2000年中国科学院优秀期刊三等奖,1998年中国科技期刊影响因子工程类第二名,中国期刊方阵“双效”期刊
  • 国内外数据库收录:
  • 美国化学文摘（网络版）,日本日本科学技术振兴机构数据库,中国中国科技核心期刊,中国北大核心期刊（2004版）,中国北大核心期刊（2008版）,中国北大核心期刊（2011版）,中国北大核心期刊（2000版）
  • 被引量:9060