Investigation on SLM’s Stability via the Mutual Solubility of Different Water pH + TOA + Organic Solvents and DFT Calculation

IF 2.9 4区工程技术 Q2 CHEMISTRY, MULTIDISCIPLINARY

Korean Journal of Chemical Engineering Pub Date : 2025-03-14 DOI:10.1007/s11814-025-00435-y

Thanaporn Arunchai, Vanee Mohdee, Natthapol Triwongsa, Ura Pancharoen, Kasidit Nootong, Wikorn Punyain

{"title":"Investigation on SLM’s Stability via the Mutual Solubility of Different Water pH + TOA + Organic Solvents and DFT Calculation","authors":"Thanaporn Arunchai, Vanee Mohdee, Natthapol Triwongsa, Ura Pancharoen, Kasidit Nootong, Wikorn Punyain","doi":"10.1007/s11814-025-00435-y","DOIUrl":null,"url":null,"abstract":"<div><p>This work presents the influence of water pH on the stability of supported liquid membrane (SLM) regards its mutual solubility. For the solubility experiments, both liquid–liquid binary and ternary systems are studied in different water pH (2.0, 7.0, and 13.0) at 303.15 K and atmospheric pressure. In the organic phase, tri-<i>n</i>-octylamine (TOA) combined with various organic solvents is used; adjusted pH water is used in the aqueous phase. Results demonstrate that, in the organic phase, basic water reveals the least solubility. Data correlation utilizing the NRTL model fitted in well with the experimental data as validated by < 5% RMSD. For the interaction molecular study of the involved molecules, density function theory (DFT) is carried out. Application of the hollow fiber-supported liquid membrane (HFSLM) shows that stability is affected by the solubility of different pH water. It is noted that the basic-based feed provides the longest stability, which is consistent with the solubility results.</p></div>","PeriodicalId":684,"journal":{"name":"Korean Journal of Chemical Engineering","volume":"42 5","pages":"1117 - 1135"},"PeriodicalIF":2.9000,"publicationDate":"2025-03-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Korean Journal of Chemical Engineering","FirstCategoryId":"5","ListUrlMain":"https://link.springer.com/article/10.1007/s11814-025-00435-y","RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}

引用次数: 0

Abstract

This work presents the influence of water pH on the stability of supported liquid membrane (SLM) regards its mutual solubility. For the solubility experiments, both liquid–liquid binary and ternary systems are studied in different water pH (2.0, 7.0, and 13.0) at 303.15 K and atmospheric pressure. In the organic phase, tri-n-octylamine (TOA) combined with various organic solvents is used; adjusted pH water is used in the aqueous phase. Results demonstrate that, in the organic phase, basic water reveals the least solubility. Data correlation utilizing the NRTL model fitted in well with the experimental data as validated by < 5% RMSD. For the interaction molecular study of the involved molecules, density function theory (DFT) is carried out. Application of the hollow fiber-supported liquid membrane (HFSLM) shows that stability is affected by the solubility of different pH water. It is noted that the basic-based feed provides the longest stability, which is consistent with the solubility results.

查看原文本刊更多论文

通过不同水pH + TOA +有机溶剂的相互溶解度和DFT计算研究SLM的稳定性

本文从负载液膜的相互溶解度出发，研究了水pH对负载液膜稳定性的影响。在溶解度实验中，研究了液-液二元体系和三元体系在303.15 K和常压下的不同水pH（2.0、7.0和13.0）下的溶解度。有机相采用三正辛胺（TOA）与各种有机溶剂结合；在水相中使用调整pH值的水。结果表明，在有机相中，碱性水的溶解度最小。利用NRTL模型的数据相关性与实验数据拟合良好，RMSD为<； 5%。对于相关分子的相互作用分子研究，采用密度泛函理论（DFT）。中空纤维支撑液膜（HFSLM）的应用表明，不同pH水的溶解度影响其稳定性。值得注意的是，碱性进料提供了最长的稳定性，这与溶解度结果是一致的。

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

Korean Journal of Chemical Engineering 工程技术-工程：化工

CiteScore

4.60

自引率

11.10%

发文量

310

审稿时长

4.7 months

期刊介绍： The Korean Journal of Chemical Engineering provides a global forum for the dissemination of research in chemical engineering. The Journal publishes significant research results obtained in the Asia-Pacific region, and simultaneously introduces recent technical progress made in other areas of the world to this region. Submitted research papers must be of potential industrial significance and specifically concerned with chemical engineering. The editors will give preference to papers having a clearly stated practical scope and applicability in the areas of chemical engineering, and to those where new theoretical concepts are supported by new experimental details. The Journal also regularly publishes featured reviews on emerging and industrially important subjects of chemical engineering as well as selected papers presented at international conferences on the subjects.