Excess properties, intermolecular interaction, and CO2 capture performance of diethylene glycol monomethyl ether + ethylenediamine binary mixed solutions

IF 5.3 2区 化学 Q2 CHEMISTRY, PHYSICAL Journal of Molecular Liquids Pub Date : 2024-11-23 DOI:10.1016/j.molliq.2024.126561
Jiaqi Zang , Wenjie Zhai , Yuchang Wang , Bo Zhang , Xiyue Ma , Kai Ma , Jianbin Zhang
{"title":"Excess properties, intermolecular interaction, and CO2 capture performance of diethylene glycol monomethyl ether + ethylenediamine binary mixed solutions","authors":"Jiaqi Zang ,&nbsp;Wenjie Zhai ,&nbsp;Yuchang Wang ,&nbsp;Bo Zhang ,&nbsp;Xiyue Ma ,&nbsp;Kai Ma ,&nbsp;Jianbin Zhang","doi":"10.1016/j.molliq.2024.126561","DOIUrl":null,"url":null,"abstract":"<div><div>In this work, the density (<em>ρ</em>) and viscosity (<em>η</em>) values of diethylene glycol monomethyl ether (DEGME) (1) + ethylenediamine (EDA) (2) binary mixed solutions were experimentally measured over the temperature span of 298.15–318.15 K and at a constant pressure of 100.5 kPa. To delve into the physicochemical properties of the binary mixed solutions, the excess properties, including excess molar volume, viscosity deviation, and excess molar activation Gibbs free energy, and thermodynamic values, including activation Gibbs free energy<em>,</em> enthalpy change<em>,</em> entropy change<em>,</em> and activation energy, were systemically calculated. Furthermore, the relationship between mole fraction and temperature was modeled using the Jouyban-Acree (J-A) model and a least squares method. Additionally, the three-body McAllister, the four-body McAllister, the Eyring-Margules, and the Heric viscosity models were employed to establish a relationship between viscosity and mole fraction. The relationship between viscosity and temperature was determined utilizing the Arrhenius equation, and the Redlich-Kister (R-K) polynomial was applied to fit the excess molar volume, viscosity deviation, and excess molar activation Gibbs free energy values of the binary mixed solutions. To further validate the intermolecular interactions within the binary mixed solutions, Raman, UV, and <sup>1</sup>H NMR spectroscopic analyses, and density-functional theory (DFT) calculations were also conducted. These comprehensive analyses collectively confirmed the presence of significant intermolecular hydrogen bonds (IHBs) between the DEGME and EDA molecules, which are characterized as the –OH⋯NH<sub>2</sub>– interaction. Ultimately, the CO<sub>2</sub> absorption capacity of the binary mixed solutions was examined, revealing that diethylene glycol monomethyl ether (DEGME) (1) + ethylenediamine (EDA) (2) binary mixed solutions owned superior CO<sub>2</sub> absorption efficiency, thus offering a promising approach for CO<sub>2</sub> capture.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"417 ","pages":"Article 126561"},"PeriodicalIF":5.3000,"publicationDate":"2024-11-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Molecular Liquids","FirstCategoryId":"92","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0167732224026205","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
引用次数: 0

Abstract

In this work, the density (ρ) and viscosity (η) values of diethylene glycol monomethyl ether (DEGME) (1) + ethylenediamine (EDA) (2) binary mixed solutions were experimentally measured over the temperature span of 298.15–318.15 K and at a constant pressure of 100.5 kPa. To delve into the physicochemical properties of the binary mixed solutions, the excess properties, including excess molar volume, viscosity deviation, and excess molar activation Gibbs free energy, and thermodynamic values, including activation Gibbs free energy, enthalpy change, entropy change, and activation energy, were systemically calculated. Furthermore, the relationship between mole fraction and temperature was modeled using the Jouyban-Acree (J-A) model and a least squares method. Additionally, the three-body McAllister, the four-body McAllister, the Eyring-Margules, and the Heric viscosity models were employed to establish a relationship between viscosity and mole fraction. The relationship between viscosity and temperature was determined utilizing the Arrhenius equation, and the Redlich-Kister (R-K) polynomial was applied to fit the excess molar volume, viscosity deviation, and excess molar activation Gibbs free energy values of the binary mixed solutions. To further validate the intermolecular interactions within the binary mixed solutions, Raman, UV, and 1H NMR spectroscopic analyses, and density-functional theory (DFT) calculations were also conducted. These comprehensive analyses collectively confirmed the presence of significant intermolecular hydrogen bonds (IHBs) between the DEGME and EDA molecules, which are characterized as the –OH⋯NH2– interaction. Ultimately, the CO2 absorption capacity of the binary mixed solutions was examined, revealing that diethylene glycol monomethyl ether (DEGME) (1) + ethylenediamine (EDA) (2) binary mixed solutions owned superior CO2 absorption efficiency, thus offering a promising approach for CO2 capture.
查看原文
分享 分享
微信好友 朋友圈 QQ好友 复制链接
本刊更多论文
二乙二醇单甲醚+乙二胺二元混合溶液的过剩特性、分子间相互作用和二氧化碳捕获性能
本研究在 298.15-318.15 K 的温度跨度和 100.5 kPa 的恒压条件下,对二乙二醇单甲醚 (DEGME) (1) + 乙二胺 (EDA) (2) 二元混合溶液的密度 (ρ)和粘度 (η)值进行了实验测量。为了深入研究二元混合溶液的理化性质,系统计算了过量摩尔体积、粘度偏差和过量摩尔活化吉布斯自由能等过量性质,以及活化吉布斯自由能、焓变、熵变和活化能等热力学值。此外,还使用 Jouyban-Acree (J-A) 模型和最小二乘法模拟了分子分数与温度之间的关系。此外,还采用了三体 McAllister、四体 McAllister、Eyring-Margules 和 Heric 粘度模型来建立粘度与分子分数之间的关系。利用阿伦尼乌斯方程确定了粘度与温度之间的关系,并应用 Redlich-Kister (R-K) 多项式拟合了二元混合溶液的过摩尔体积、粘度偏差和过摩尔活化吉布斯自由能值。为了进一步验证二元混合溶液中的分子间相互作用,还进行了拉曼、紫外和 1H NMR 光谱分析以及密度泛函理论(DFT)计算。这些综合分析共同证实了 DEGME 和 EDA 分子之间存在显著的分子间氢键 (IHB),其特征为 -OH⋯NH2- 相互作用。最后,对二元混合溶液的二氧化碳吸收能力进行了研究,结果表明二乙二醇单甲醚(DEGME)(1)+乙二胺(EDA)(2)二元混合溶液具有卓越的二氧化碳吸收效率,从而为二氧化碳捕获提供了一种前景广阔的方法。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
求助全文
约1分钟内获得全文 去求助
来源期刊
Journal of Molecular Liquids
Journal of Molecular Liquids 化学-物理:原子、分子和化学物理
CiteScore
10.30
自引率
16.70%
发文量
2597
审稿时长
78 days
期刊介绍: The journal includes papers in the following areas: – Simple organic liquids and mixtures – Ionic liquids – Surfactant solutions (including micelles and vesicles) and liquid interfaces – Colloidal solutions and nanoparticles – Thermotropic and lyotropic liquid crystals – Ferrofluids – Water, aqueous solutions and other hydrogen-bonded liquids – Lubricants, polymer solutions and melts – Molten metals and salts – Phase transitions and critical phenomena in liquids and confined fluids – Self assembly in complex liquids.– Biomolecules in solution The emphasis is on the molecular (or microscopic) understanding of particular liquids or liquid systems, especially concerning structure, dynamics and intermolecular forces. The experimental techniques used may include: – Conventional spectroscopy (mid-IR and far-IR, Raman, NMR, etc.) – Non-linear optics and time resolved spectroscopy (psec, fsec, asec, ISRS, etc.) – Light scattering (Rayleigh, Brillouin, PCS, etc.) – Dielectric relaxation – X-ray and neutron scattering and diffraction. Experimental studies, computer simulations (MD or MC) and analytical theory will be considered for publication; papers just reporting experimental results that do not contribute to the understanding of the fundamentals of molecular and ionic liquids will not be accepted. Only papers of a non-routine nature and advancing the field will be considered for publication.
期刊最新文献
Editorial Board Cooperative effects of quaternary ammonium salt collectors and cationic polyacrylamide on flotation separation of diaspore and kaolinite: Experimental study and simulation Numerical simulation on the effect of contact angle on the permeation of emulsions through a membrane in premix membrane emulsification Unveiling the apparent density of swollen PDMS in hydrocarbons – A distinction between dimensional-based and volume-additivity methods Zwitterionic polymer grafted nano-SiO2 as fluid loss agent for high temperature water-based drilling fluids
×
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
现在去查看 取消
×
提示
确定
0
微信
客服QQ
Book学术公众号 扫码关注我们
反馈
×
意见反馈
请填写您的意见或建议
请填写您的手机或邮箱
已复制链接
已复制链接
快去分享给好友吧!
我知道了
×
扫码分享
扫码分享
Book学术官方微信
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术
文献互助 智能选刊 最新文献 互助须知 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 Book学术 All rights reserved.
ghs 京公网安备 11010802042870号 京ICP备2023020795号-1