文献类型：期刊文献

中文题名：基于自编反应器模块的间二甲苯氧化工艺流程模拟与优化

英文题名：Simulation and optimization of m-xylene oxidation process based on the customized reactor module

作者：王士林[1];吕全明[1];孙伟振[1];赵玲[1,2]

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;[2]新疆大学化学化工学院,新疆乌鲁木齐830046

年份：2021

卷号：50

期号：9

起止页码：915

中文期刊名：石油化工

外文期刊名：Petrochemical Technology

收录：CSTPCD;;Scopus;北大核心:【北大核心2020】；CSCD:【CSCD2021_2022】；

基金：国家自然科学基金项目(91434108)。

语种：中文

中文关键词：间二甲苯;液相氧化;自编反应器模块;Aspen plus流程模拟;过程优化

外文关键词：m-xylene;liquid phase oxidation;customized reactor module;Aspen plus process simulation;process optimization

摘要：采用基于自编反应器模块的Aspen plus模拟软件对间二甲苯(MX)氧化工艺进行了流程模拟和工艺条件优化。首先通过Fortran编译器对包含自由基链式反应机理动力学的全混流反应器模块进行编译,并结合Aspen plus软件内部丰富的单元模块,建立了MX氧化模拟流程。模型验证结果显示,模拟计算与工业数据吻合良好,相对误差在2%以内。其次采用正交实验方法对模拟优化方案进行了设计,并模拟考察了温度、催化剂用量、溶剂比、停留时间对各氧化工艺指标的影响。模拟计算表明,温度对醋酸单耗的影响最大;催化剂用量对MX单耗、醋酸单耗、间苯二甲酸(IPA)收率、3-羧基苯甲醛(3-CBA)含量、尾氧含量的影响程度较小;溶剂比对3-CBA含量影响较大;停留时间对IPA收率、尾氧含量的影响最大,且对醋酸单耗和3-CBA浓度均有重要影响。
Based on a customized reactor module,the Aspen plus simulation software was used to simulate the m-xylene(MX)oxidation process and optimize the process conditions.Firstly,the Fortran compiler was used to compile the well-mixed flow reactor module containing the kinetics of the radical chain reaction mechanism,and combined with the abundant unit modules inside Aspen plus to establish the MX oxidation simulation process.The model verification results show that the simulation calculation is in good agreement with the industrial data,and the relative error is within 2%.Secondly,the orthogonal experiment method was used to design the simulation optimization scheme,and the influence of temperature,catalyst concentration,solvent ratio,and residence time on various oxidation process indicators was simulated.Simulation results show that temperature has the largest impact on the consumption of acetic acid;the catalyst concentration has a small effect on the consumption of MX,consumption of acetic acid,yield of isophthalic acid(IPA),3-carboxybenzaldehyde(3-CBA)concentration,and tail oxygen content;the solvent ratio has a larger impact on the 3-CBA concentration;the influence of residence time on IPA yield and tail oxygen content is the most,and it also has an important influence on the consumption of acetic acid and the 3-CBA concentration.