{"title":"线性和非线性色谱柱模型的分析和数值解决方案","authors":"Krzysztof Kaczmarski, M. Szukiewicz","doi":"10.1556/1326.2024.01199","DOIUrl":null,"url":null,"abstract":"The advection-convection models (ACM) have practical applications in the investigation of separation processes, where mass (heat) is transferred by convection and diffusion (dispersion) along mass/heat exchanger, eq. adsorption, chromatography column, tubular reactor, etc. The ACM consists of nonlinear partial differential equations which can be solved only with numerical methods. In the article, a comparison of the volume method (VM) and orthogonal collocation on finite elements (OCFE) is presented in terms of their reliability, accuracy of calculations, and speed of calculation. The OCFE proved to be more robust than VM.The linear ACM model for the chromatography column has an analytical solution in the form of the equation for the number of theoretical plates (N). This equation is often applied in the interpretation and evaluation of model parameters. However, the versions of N equation published in the literature are not correct. The error can lead to significant imprecision for specific cases. Here, in the paper, the revised equations are presented and discussed for the most frequently used chromatography column models.","PeriodicalId":1,"journal":{"name":"Accounts of Chemical Research","volume":null,"pages":null},"PeriodicalIF":16.4000,"publicationDate":"2024-03-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Analytical and numerical solutions of linear and nonlinear chromatography column models\",\"authors\":\"Krzysztof Kaczmarski, M. Szukiewicz\",\"doi\":\"10.1556/1326.2024.01199\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"The advection-convection models (ACM) have practical applications in the investigation of separation processes, where mass (heat) is transferred by convection and diffusion (dispersion) along mass/heat exchanger, eq. adsorption, chromatography column, tubular reactor, etc. The ACM consists of nonlinear partial differential equations which can be solved only with numerical methods. In the article, a comparison of the volume method (VM) and orthogonal collocation on finite elements (OCFE) is presented in terms of their reliability, accuracy of calculations, and speed of calculation. The OCFE proved to be more robust than VM.The linear ACM model for the chromatography column has an analytical solution in the form of the equation for the number of theoretical plates (N). This equation is often applied in the interpretation and evaluation of model parameters. However, the versions of N equation published in the literature are not correct. The error can lead to significant imprecision for specific cases. Here, in the paper, the revised equations are presented and discussed for the most frequently used chromatography column models.\",\"PeriodicalId\":1,\"journal\":{\"name\":\"Accounts of Chemical Research\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":16.4000,\"publicationDate\":\"2024-03-27\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Accounts of Chemical Research\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://doi.org/10.1556/1326.2024.01199\",\"RegionNum\":1,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"CHEMISTRY, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Accounts of Chemical Research","FirstCategoryId":"92","ListUrlMain":"https://doi.org/10.1556/1326.2024.01199","RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
引用次数: 0
摘要
平流-对流模型(ACM)在研究分离过程中具有实际应用价值,在分离过程中,质量(热量)通过对流和扩散(分散)沿着质量/热交换器、等效吸附、色谱柱、管式反应器等进行传递。ACM 由非线性偏微分方程组成,只能用数值方法求解。文章从可靠性、计算精度和计算速度等方面对体积法(VM)和有限元正交配位法(OCFE)进行了比较。事实证明,OCFE 比 VM 更稳健。色谱柱的线性 ACM 模型有一个理论板数 (N) 方程形式的解析解。该方程通常用于解释和评估模型参数。然而,文献中公布的 N 方程并不正确。这种错误会导致特定情况下的严重不精确。本文针对最常用的色谱柱模型,介绍并讨论了修订后的方程。
Analytical and numerical solutions of linear and nonlinear chromatography column models
The advection-convection models (ACM) have practical applications in the investigation of separation processes, where mass (heat) is transferred by convection and diffusion (dispersion) along mass/heat exchanger, eq. adsorption, chromatography column, tubular reactor, etc. The ACM consists of nonlinear partial differential equations which can be solved only with numerical methods. In the article, a comparison of the volume method (VM) and orthogonal collocation on finite elements (OCFE) is presented in terms of their reliability, accuracy of calculations, and speed of calculation. The OCFE proved to be more robust than VM.The linear ACM model for the chromatography column has an analytical solution in the form of the equation for the number of theoretical plates (N). This equation is often applied in the interpretation and evaluation of model parameters. However, the versions of N equation published in the literature are not correct. The error can lead to significant imprecision for specific cases. Here, in the paper, the revised equations are presented and discussed for the most frequently used chromatography column models.
期刊介绍:
Accounts of Chemical Research presents short, concise and critical articles offering easy-to-read overviews of basic research and applications in all areas of chemistry and biochemistry. These short reviews focus on research from the author’s own laboratory and are designed to teach the reader about a research project. In addition, Accounts of Chemical Research publishes commentaries that give an informed opinion on a current research problem. Special Issues online are devoted to a single topic of unusual activity and significance.
Accounts of Chemical Research replaces the traditional article abstract with an article "Conspectus." These entries synopsize the research affording the reader a closer look at the content and significance of an article. Through this provision of a more detailed description of the article contents, the Conspectus enhances the article's discoverability by search engines and the exposure for the research.