Theoretical Study of Non-Isothermal Gradient Elution Liquid Chromatography.

IF 16.4 1区化学 Q1 CHEMISTRY, MULTIDISCIPLINARY

Accounts of Chemical Research Pub Date : 2024-07-10 DOI:10.1093/chromsci/bmad076

Nazia Rehman, Ayesha Parveen, Shamsul Qamar

{"title":"Theoretical Study of Non-Isothermal Gradient Elution Liquid Chromatography.","authors":"Nazia Rehman, Ayesha Parveen, Shamsul Qamar","doi":"10.1093/chromsci/bmad076","DOIUrl":null,"url":null,"abstract":"<p><p>A two-component model of gradient elution chromatography is investigated to theoretically study the effects of simultaneous variations in temperature and solvent strength on the retention behaviors of elution profiles in thermally insulated liquid chromatographic columns. The gradient elution technique is based on the gradual increase or decrease in eluent strength during the chromatographic operation by varying the composition of the mobile phase. The enthalpy of adsorption is primarily responsible for internal temperature variations inside the column, as heat adsorbs during the adsorption process and releases in the desorption phase. Both types of variations change the propagation speeds of moving pulses inside the column which can lead to better separation of the components and a reduction in the recycling time for the next injection. The equilibrium dispersive model (EDM) coupled with the energy balance equation for temperature and transport equation for the volume fraction of the solvent is utilized to simulate this complex process. The resulting nonlinear model equations are approximated by applying a semi-discrete second-order finite volume scheme. The numerical solutions are used to study the impact of a gradient starting and ending times, volume-fraction of the solvent, solvent strength parameter, the slope of gradient, enthalpy of adsorption, injection temperature, and the ratio of specific heats on the concentration profiles.</p>","PeriodicalId":1,"journal":{"name":"Accounts of Chemical Research","volume":null,"pages":null},"PeriodicalIF":16.4000,"publicationDate":"2024-07-10","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/10.1093/chromsci/bmad076","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

Abstract

A two-component model of gradient elution chromatography is investigated to theoretically study the effects of simultaneous variations in temperature and solvent strength on the retention behaviors of elution profiles in thermally insulated liquid chromatographic columns. The gradient elution technique is based on the gradual increase or decrease in eluent strength during the chromatographic operation by varying the composition of the mobile phase. The enthalpy of adsorption is primarily responsible for internal temperature variations inside the column, as heat adsorbs during the adsorption process and releases in the desorption phase. Both types of variations change the propagation speeds of moving pulses inside the column which can lead to better separation of the components and a reduction in the recycling time for the next injection. The equilibrium dispersive model (EDM) coupled with the energy balance equation for temperature and transport equation for the volume fraction of the solvent is utilized to simulate this complex process. The resulting nonlinear model equations are approximated by applying a semi-discrete second-order finite volume scheme. The numerical solutions are used to study the impact of a gradient starting and ending times, volume-fraction of the solvent, solvent strength parameter, the slope of gradient, enthalpy of adsorption, injection temperature, and the ratio of specific heats on the concentration profiles.

查看原文本刊更多论文

非等温梯度洗脱液相色谱法的理论研究

研究了梯度洗脱色谱的双组分模型，从理论上研究了温度和溶剂强度同时变化对隔热液相色谱柱中洗脱曲线保留行为的影响。梯度洗脱技术的基础是通过改变流动相的组成，在色谱操作过程中逐渐增加或减少洗脱剂的强度。吸附焓是色谱柱内部温度变化的主要原因，因为热量在吸附过程中吸附，并在解吸阶段释放。这两种类型的变化都会改变色谱柱内移动脉冲的传播速度，从而更好地分离成分并缩短下一次进样的循环时间。平衡分散模型（EDM）与温度的能量平衡方程和溶剂体积分数的传输方程相结合，用于模拟这一复杂过程。由此产生的非线性模型方程通过应用半离散二阶有限体积方案进行近似。数值解法用于研究梯度起始和终止时间、溶剂体积分数、溶剂强度参数、梯度斜率、吸附焓、注入温度和比热比对浓度曲线的影响。

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

Accounts of Chemical Research 化学-化学综合

CiteScore

31.40

自引率

1.10%

发文量

312

审稿时长

2 months

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.