Experimental Evaluation and Thermodynamic Modeling of Aqueous Two-Phase Systems Based on Poly(ethylene oxide-ran-propylene oxide (50:50)) as an Environmentally Friendly Thermosensitive Copolymer and Phosphate Salts

IF 2.4 3区 工程技术 Q3 CHEMISTRY, MULTIDISCIPLINARY
Journal of Chemical & Engineering Data Pub Date : 2026-09-10 Epub Date: 2026-06-22 DOI:10.1021/acs.jced.6c00243
Shadi Azar, Alireza Habibi, Farshad Rahimpour
{"title":"Experimental Evaluation and Thermodynamic Modeling of Aqueous Two-Phase Systems Based on Poly(ethylene oxide-ran-propylene oxide (50:50)) as an Environmentally Friendly Thermosensitive Copolymer and Phosphate Salts","authors":"Shadi Azar,&nbsp;Alireza Habibi,&nbsp;Farshad Rahimpour","doi":"10.1021/acs.jced.6c00243","DOIUrl":null,"url":null,"abstract":"<p>This\r\nstudy focuses on the equilibrium behaviors of a novel aqueous\r\ntwo-phase system (ATPS) based on phosphate salts and poly(EO<sub>50</sub>-<em>ran</em>-PO<sub>50</sub>) at various pH (6, 7, and 8)\r\nand temperatures (25, 35, and 40 °C). The main distinction of\r\nthis system is the application of a thermosensitive copolymer with\r\na mild critical solution temperature (48 °C), which allows easy\r\nrecovery of polymers from temperature-sensitive materials for purification\r\npurposes. The phase diagrams for the ATPS indicated that the increase\r\nin pH and temperature resulted in expansion of the biphasic region.\r\nThe Merchuk equation was applied for description of the experimental\r\ndata, and the length and slope of the tie lines in different conditions\r\nwere calculated. The experimental tie-line compositions were correlated\r\nto the Othmer–Tobias and Bancroft equations, and the relevant\r\nparameters of the models were determined. The experimental data of\r\nthis system were best described by the activity coefficients of the\r\nnonrandom two liquid (NRTL) model. Also, a simplified model of the\r\nNRTL equation based on the use of mass fraction has been proposed\r\nin the present study, in which the mean deviation of 1.40% between\r\nexperimental and calculated mass fractions revealed its prediction\r\npower from the equilibrium compositions of the system.</p>","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"71 9","pages":"3956–3964"},"PeriodicalIF":2.4000,"publicationDate":"2026-09-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Chemical & Engineering Data","FirstCategoryId":"1","ListUrlMain":"https://pubs.acs.org/doi/10.1021/acs.jced.6c00243","RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"2026/6/22 0:00:00","PubModel":"Epub","JCR":"Q3","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
引用次数: 0

Abstract

This study focuses on the equilibrium behaviors of a novel aqueous two-phase system (ATPS) based on phosphate salts and poly(EO50-ran-PO50) at various pH (6, 7, and 8) and temperatures (25, 35, and 40 °C). The main distinction of this system is the application of a thermosensitive copolymer with a mild critical solution temperature (48 °C), which allows easy recovery of polymers from temperature-sensitive materials for purification purposes. The phase diagrams for the ATPS indicated that the increase in pH and temperature resulted in expansion of the biphasic region. The Merchuk equation was applied for description of the experimental data, and the length and slope of the tie lines in different conditions were calculated. The experimental tie-line compositions were correlated to the Othmer–Tobias and Bancroft equations, and the relevant parameters of the models were determined. The experimental data of this system were best described by the activity coefficients of the nonrandom two liquid (NRTL) model. Also, a simplified model of the NRTL equation based on the use of mass fraction has been proposed in the present study, in which the mean deviation of 1.40% between experimental and calculated mass fractions revealed its prediction power from the equilibrium compositions of the system.

基于环境友好型热敏共聚物聚环氧乙烷-环氧丙烷(50:50)和磷酸盐的水两相体系的实验评价和热力学建模
本研究的重点是基于磷酸盐和聚(EO50-ran-PO50)的新型水两相体系(ATPS)在不同pH(6,7和8)和温度(25,35和40°C)下的平衡行为。该系统的主要区别是热敏性共聚物的应用,具有温和的临界溶液温度(48°C),可以轻松地从温度敏感材料中回收聚合物用于净化目的。ATPS的相图表明,pH和温度的升高导致双相区扩大。采用Merchuk方程对实验数据进行描述,计算了不同条件下扎线的长度和斜率。实验系线组成与other - tobias和Bancroft方程相关,并确定了模型的相关参数。用非随机两液(NRTL)活度系数模型可以很好地描述该体系的实验数据。此外,本文还提出了一个基于质量分数的简化模型,其中实验分数与计算分数之间的平均偏差为1.40%,显示了系统平衡成分的预测能力。
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 Chemical & Engineering Data
Journal of Chemical & Engineering Data 工程技术-工程:化工
CiteScore
5.20
自引率
19.20%
发文量
324
审稿时长
2.2 months
期刊介绍: The Journal of Chemical & Engineering Data is a monthly journal devoted to the publication of data obtained from both experiment and computation, which are viewed as complementary. It is the only American Chemical Society journal primarily concerned with articles containing data on the phase behavior and the physical, thermodynamic, and transport properties of well-defined materials, including complex mixtures of known compositions. While environmental and biological samples are of interest, their compositions must be known and reproducible. As a result, adsorption on natural product materials does not generally fit within the scope of Journal of Chemical & Engineering Data.
×
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:604180095
Book学术官方微信
小红书