应用FastIAS算法求解Redlich-Peterson等温线

IF 3 4区工程技术 Q3 CHEMISTRY, PHYSICAL

Adsorption Pub Date : 2025-05-09 DOI:10.1007/s10450-025-00630-7

Stefano Brandani, Daniel Friedrich, Enzo Mangano

{"title":"应用FastIAS算法求解Redlich-Peterson等温线","authors":"Stefano Brandani, Daniel Friedrich, Enzo Mangano","doi":"10.1007/s10450-025-00630-7","DOIUrl":null,"url":null,"abstract":"<div><p>The Redlich-Peterson isotherm is widely used in liquid phase adsorption studies but the combination with the Ideal Adsorbed Solution Theory is hampered by the fact that an analytical expression for the reduced grand potential does not exist in the range of low pressures or concentrations. In this contribution we demonstrate an efficient approach to approximate the reduced grand potential using a Padé approximant allowing to perform the calculations with the Fast-IAS algorithm leading to execution times that are slightly slower but comparable to a dual site Langmuir/Fast-IAS combination. While the non-autonomous initial value approach remains a simpler method for this isotherm, the proposed method is recommended when execution times have to be minimized.</p></div>","PeriodicalId":458,"journal":{"name":"Adsorption","volume":"31 5","pages":""},"PeriodicalIF":3.0000,"publicationDate":"2025-05-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s10450-025-00630-7.pdf","citationCount":"0","resultStr":"{\"title\":\"Applying the FastIAS algorithm to the Redlich-Peterson isotherm\",\"authors\":\"Stefano Brandani, Daniel Friedrich, Enzo Mangano\",\"doi\":\"10.1007/s10450-025-00630-7\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>The Redlich-Peterson isotherm is widely used in liquid phase adsorption studies but the combination with the Ideal Adsorbed Solution Theory is hampered by the fact that an analytical expression for the reduced grand potential does not exist in the range of low pressures or concentrations. In this contribution we demonstrate an efficient approach to approximate the reduced grand potential using a Padé approximant allowing to perform the calculations with the Fast-IAS algorithm leading to execution times that are slightly slower but comparable to a dual site Langmuir/Fast-IAS combination. While the non-autonomous initial value approach remains a simpler method for this isotherm, the proposed method is recommended when execution times have to be minimized.</p></div>\",\"PeriodicalId\":458,\"journal\":{\"name\":\"Adsorption\",\"volume\":\"31 5\",\"pages\":\"\"},\"PeriodicalIF\":3.0000,\"publicationDate\":\"2025-05-09\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://link.springer.com/content/pdf/10.1007/s10450-025-00630-7.pdf\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Adsorption\",\"FirstCategoryId\":\"5\",\"ListUrlMain\":\"https://link.springer.com/article/10.1007/s10450-025-00630-7\",\"RegionNum\":4,\"RegionCategory\":\"工程技术\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q3\",\"JCRName\":\"CHEMISTRY, PHYSICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Adsorption","FirstCategoryId":"5","ListUrlMain":"https://link.springer.com/article/10.1007/s10450-025-00630-7","RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}

引用次数: 0

摘要

Redlich-Peterson等温线广泛应用于液相吸附研究，但由于在低压或低浓度范围内不存在还原大势的解析表达式，使其与理想吸附溶液理论的结合受到阻碍。在本文中，我们展示了一种有效的方法，使用pad近似值来近似减少的大势，允许使用Fast-IAS算法执行计算，导致执行时间略慢，但可与双站点Langmuir/Fast-IAS组合相媲美。虽然对于这个等温线，非自治初始值方法仍然是一种更简单的方法，但当必须最小化执行时间时，建议使用所建议的方法。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

查看原文本刊更多论文

Applying the FastIAS algorithm to the Redlich-Peterson isotherm

The Redlich-Peterson isotherm is widely used in liquid phase adsorption studies but the combination with the Ideal Adsorbed Solution Theory is hampered by the fact that an analytical expression for the reduced grand potential does not exist in the range of low pressures or concentrations. In this contribution we demonstrate an efficient approach to approximate the reduced grand potential using a Padé approximant allowing to perform the calculations with the Fast-IAS algorithm leading to execution times that are slightly slower but comparable to a dual site Langmuir/Fast-IAS combination. While the non-autonomous initial value approach remains a simpler method for this isotherm, the proposed method is recommended when execution times have to be minimized.

求助全文

通过发布文献求助，成功后即可免费获取论文全文。去求助

来源期刊

Adsorption 工程技术-工程：化工

CiteScore

8.10

自引率

3.00%

发文量

审稿时长

2.4 months

期刊介绍： The journal Adsorption provides authoritative information on adsorption and allied fields to scientists, engineers, and technologists throughout the world. The information takes the form of peer-reviewed articles, R&D notes, topical review papers, tutorial papers, book reviews, meeting announcements, and news. Coverage includes fundamental and practical aspects of adsorption: mathematics, thermodynamics, chemistry, and physics, as well as processes, applications, models engineering, and equipment design. Among the topics are Adsorbents: new materials, new synthesis techniques, characterization of structure and properties, and applications; Equilibria: novel theories or semi-empirical models, experimental data, and new measurement methods; Kinetics: new models, experimental data, and measurement methods. Processes: chemical, biochemical, environmental, and other applications, purification or bulk separation, fixed bed or moving bed systems, simulations, experiments, and design procedures.