{"title":"Mathematical simulation and optimization of xylene isomerization reactor to enhance p-xylene production","authors":"Ali Hafizi, Mohammad Farsi, Morteza Esfandyari","doi":"10.1002/kin.21674","DOIUrl":null,"url":null,"abstract":"<p>This study investigated mathematical modeling and optimization of the xylene isomerization reaction in a commercial adiabatic reactor. The proposed model, consisting of a set of algebraic and ordinary differential equations, is based on a heterogeneous one-dimensional steady-state formulation. To verify the proposed model, the simulation results have been compared to available data from an industrial reactor. A good agreement has been found between the simulation and plant data. The genetic algorithm (GA) method is applied to optimize the reactor operating conditions considering the para-xylene (p-xylene) mole fraction in reactor outlet as the main objective function. According to the simulation results, there is an optimum initial temperature for maximizing the objective function. In the optimization process, the p-xylene mole fraction was enhanced by 3.0% at an optimized feed temperature of 678.04K.</p>","PeriodicalId":13894,"journal":{"name":"International Journal of Chemical Kinetics","volume":null,"pages":null},"PeriodicalIF":1.5000,"publicationDate":"2023-06-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"International Journal of Chemical Kinetics","FirstCategoryId":"92","ListUrlMain":"https://onlinelibrary.wiley.com/doi/10.1002/kin.21674","RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
引用次数: 0
Abstract
This study investigated mathematical modeling and optimization of the xylene isomerization reaction in a commercial adiabatic reactor. The proposed model, consisting of a set of algebraic and ordinary differential equations, is based on a heterogeneous one-dimensional steady-state formulation. To verify the proposed model, the simulation results have been compared to available data from an industrial reactor. A good agreement has been found between the simulation and plant data. The genetic algorithm (GA) method is applied to optimize the reactor operating conditions considering the para-xylene (p-xylene) mole fraction in reactor outlet as the main objective function. According to the simulation results, there is an optimum initial temperature for maximizing the objective function. In the optimization process, the p-xylene mole fraction was enhanced by 3.0% at an optimized feed temperature of 678.04K.
期刊介绍：
As the leading archival journal devoted exclusively to chemical kinetics, the International Journal of Chemical Kinetics publishes original research in gas phase, condensed phase, and polymer reaction kinetics, as well as biochemical and surface kinetics. The Journal seeks to be the primary archive for careful experimental measurements of reaction kinetics, in both simple and complex systems. The Journal also presents new developments in applied theoretical kinetics and publishes large kinetic models, and the algorithms and estimates used in these models. These include methods for handling the large reaction networks important in biochemistry, catalysis, and free radical chemistry. In addition, the Journal explores such topics as the quantitative relationships between molecular structure and chemical reactivity, organic/inorganic chemistry and reaction mechanisms, and the reactive chemistry at interfaces.
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