Simplified approach to retention times of narrow binary pulses in the case of ideal chromatography model and Langmuir isotherm

IF 3.8 2区 化学 Q1 BIOCHEMICAL RESEARCH METHODS
{"title":"Simplified approach to retention times of narrow binary pulses in the case of ideal chromatography model and Langmuir isotherm","authors":"","doi":"10.1016/j.chroma.2024.465405","DOIUrl":null,"url":null,"abstract":"<div><div>Analytical solution to ideal chromatography model has been established for binary Langmuir isotherm and rectangular injections. However, retention time of the less adsorbed species, which is of great theoretical and practical significance, cannot be given in a closed form and is conventionally solved by numerical integration with a floating boundary. A simplified approach is provided in this article. A 4th order algebraic equation was derived and used to solve the maximum concentration that can be further used to explicitly calculate retention time. Under most practical conditions, reliable initial guess can be easily acquired, allowing for the application of Newton-Raphson method for rapid determination of the root of the 4th order equation. In addition, derivatives of retention time with respective to isotherm parameters can be given in analytical forms.</div></div>","PeriodicalId":347,"journal":{"name":"Journal of Chromatography A","volume":null,"pages":null},"PeriodicalIF":3.8000,"publicationDate":"2024-10-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Chromatography A","FirstCategoryId":"1","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0021967324007799","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"BIOCHEMICAL RESEARCH METHODS","Score":null,"Total":0}
引用次数: 0

Abstract

Analytical solution to ideal chromatography model has been established for binary Langmuir isotherm and rectangular injections. However, retention time of the less adsorbed species, which is of great theoretical and practical significance, cannot be given in a closed form and is conventionally solved by numerical integration with a floating boundary. A simplified approach is provided in this article. A 4th order algebraic equation was derived and used to solve the maximum concentration that can be further used to explicitly calculate retention time. Under most practical conditions, reliable initial guess can be easily acquired, allowing for the application of Newton-Raphson method for rapid determination of the root of the 4th order equation. In addition, derivatives of retention time with respective to isotherm parameters can be given in analytical forms.
理想色谱模型和朗缪尔等温线情况下窄二元脉冲保留时间的简化方法。
对于二元朗缪尔等温线和矩形进样,已经建立了理想色谱模型的解析解。然而,理论和实际意义重大的少吸附物种的保留时间却无法以封闭形式给出,传统的求解方法是通过浮动边界进行数值积分。本文提供了一种简化方法。推导出一个四阶代数方程,用于求解最大浓度,并可进一步用于显式计算保留时间。在大多数实际条件下,可以很容易地获得可靠的初始猜测,从而可以应用牛顿-拉斐森方法快速确定四阶方程的根。此外,保留时间与等温线参数的导数也可以用分析形式给出。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
求助全文
约1分钟内获得全文 求助全文
来源期刊
Journal of Chromatography A
Journal of Chromatography A 化学-分析化学
CiteScore
7.90
自引率
14.60%
发文量
742
审稿时长
45 days
期刊介绍: The Journal of Chromatography A provides a forum for the publication of original research and critical reviews on all aspects of fundamental and applied separation science. The scope of the journal includes chromatography and related techniques, electromigration techniques (e.g. electrophoresis, electrochromatography), hyphenated and other multi-dimensional techniques, sample preparation, and detection methods such as mass spectrometry. Contributions consist mainly of research papers dealing with the theory of separation methods, instrumental developments and analytical and preparative applications of general interest.
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
确定
请完成安全验证×
copy
已复制链接
快去分享给好友吧!
我知道了
右上角分享
点击右上角分享
0
联系我们:info@booksci.cn Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。 Copyright © 2023 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术官方微信