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。

IF 3.8 2区化学 Q1 BIOCHEMICAL RESEARCH METHODS

Journal of Chromatography A Pub Date : 2024-10-05 DOI:10.1016/j.chroma.2024.465405

Menglin Yang , Xiaohong He , Jin Xu , Weifang Yu

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引用次数: 0

摘要

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。

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

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.

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来源期刊

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.