Journal of Solution Chemistry最新文献_第3页

Elucidation of Molecular Interactions of Systems Comprising 1-Butyl-3-Methylimidazolium Bromide, Gamma-Valerolactone, and Alkyl Cellosolves: Graph and Prigogine–Flory–Patterson Theory 由1-丁基-3-甲基咪唑溴、γ -戊内酯和烷基纤维素溶液组成的体系的分子相互作用的阐明：图和Prigogine-Flory-Patterson理论

IF 1.3 4区化学

Journal of Solution Chemistry Pub Date : 2026-07-27 DOI: 10.1007/s10953-026-01634-9

Pooja Devi, Pooja Rani, Jyoti Kataria

{"title":"Elucidation of Molecular Interactions of Systems Comprising 1-Butyl-3-Methylimidazolium Bromide, Gamma-Valerolactone, and Alkyl Cellosolves: Graph and Prigogine–Flory–Patterson Theory","authors":"Pooja Devi, Pooja Rani, Jyoti Kataria","doi":"10.1007/s10953-026-01634-9","DOIUrl":"10.1007/s10953-026-01634-9","url":null,"abstract":"<div><p>In this work, the intermolecular interactions and structural features of binary 1-butyl-3-methylimidazolium bromide ([BMIM]Br) (1) + gamma-valerolactone (GVL) (2) and ternary solutions of [BMIM]Br) (1) + GVL (2) + methyl cellosolve (2-ME) or ethyl cellosolve (2-EE) or propyl cellosolve (2-PE) or butyl cellosolve (2-BE) (3) were investigated on the basis of respective density, <span>(rho)</span> and <span>(rho_{123})</span> covering the whole composition range at temperatures from 298.15 to 313.15 K at interval of 5 K at atmospheric pressure of 0.1 MPa. From the density data, excess molar volume of binary, <span>(V_{text m}^{text E} ,)</span> and ternary, <span>(V_{text m (123)}^{text E},)</span> solutions was derived. The predicted data of binary system was fitted to Redlich–Kister polynomial smooth equation to obtain the binary adjustable parameters and standard deviations between experimental and best-fit values. Further, Singh and Nagata–Tamura equation was used to estimate ternary coefficients. In addition to this, the structural profile of working solutions was discussed by analysing <span>(V_{text m}^{text E})</span> data in terms of Graph and Prigogine–Flory–Patterson (PFP) theories. Graph theory was also used to derive an expression for <span>(V_{text m (123)}^{text E})</span> of ternary mixtures and results showed the good agreement between estimated and experimental <span>(V_{text m (123)}^{text E})</span> data. Furthermore, Fourier transform infrared spectroscopy (FT-IR) was used to investigate the molecular association in binary and ternary systems.</p></div>","PeriodicalId":666,"journal":{"name":"Journal of Solution Chemistry","volume":"55 9","pages":"2392 - 2419"},"PeriodicalIF":1.3,"publicationDate":"2026-07-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148928029","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Phase Diagrams of Quinary System NaBr–MgBr2–CaBr2–SrBr2–H2O and Its Quaternary Subsystem at 298.15 K: Experimental Determination and Thermodynamic Modeling 298.15 K下五元体系NaBr-MgBr2-CaBr2-SrBr2-H2O及其四元子系统的相图：实验测定和热力学模拟

IF 1.3 4区化学

Journal of Solution Chemistry Pub Date : 2026-07-26 DOI: 10.1007/s10953-026-01645-6

Guoliang Nie, Ruizhi Cui, Hongbao Ren, Wu Li

{"title":"Phase Diagrams of Quinary System NaBr–MgBr2–CaBr2–SrBr2–H2O and Its Quaternary Subsystem at 298.15 K: Experimental Determination and Thermodynamic Modeling","authors":"Guoliang Nie, Ruizhi Cui, Hongbao Ren, Wu Li","doi":"10.1007/s10953-026-01645-6","DOIUrl":"10.1007/s10953-026-01645-6","url":null,"abstract":"<div><p>The oil–gas field brine of Nanyishan in Qinghai province is a liquid mineral resource of significant exploitation and utilization value. In addition to abundant sodium, potassium, magnesium, and calcium, it contains a certain concentration of trace elements such as strontium and bromine. In-depth studies on its physicochemical properties are crucial for realizing comprehensive resource development and utilization. Focusing on the compositional characteristics of this brine, this study employed isothermal dissolution equilibrium method to investigate the phase equilibria of quinary system NaBr − MgBr<sub>2</sub> − CaBr<sub>2</sub> − SrBr<sub>2</sub> − H<sub>2</sub>O and its quaternary subsystem MgBr<sub>2</sub> − CaBr<sub>2</sub> − SrBr<sub>2</sub> − H<sub>2</sub>O at 298.15 K. Experimental determinations of liquid phase compositions and solid phase precipitation form were conducted, enabling the construction of equilibrium phase diagrams. Based on the Pitzer thermodynamic model, theoretical calculations of solubility data at 298.15 K were performed using existing model parameters. The results showed that simulated phase diagrams exhibited a good consistency with experimental ones, validating the model’s accuracy. The findings of this study not only provide a foundation for further research on multitemperature phase equilibria and thermodynamic properties of complex brine systems containing magnesium, calcium, strontium, and bromine, but also offer fundamental thermodynamic data to guide the comprehensive development and utilization of similar brine resources.</p></div>","PeriodicalId":666,"journal":{"name":"Journal of Solution Chemistry","volume":"55 9","pages":"2371 - 2391"},"PeriodicalIF":1.3,"publicationDate":"2026-07-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148927919","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

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Measurement and Analysis for Ternary Liquid–Liquid Equilibrium Systems of Water + Furfuryl Alcohol + Different Alcohol Solvents at 303.2, 313.2, and 323.2 K 水+糠醇+不同醇溶剂在303.2、313.2和323.2 K下液-液平衡体系的测定和分析

IF 1.3 4区化学

Journal of Solution Chemistry Pub Date : 2026-07-24 DOI: 10.1007/s10953-026-01633-w

Zhenhai Bo, Mai Han, Mingjing Wu, Xia Li, Meng Zheng

引用次数: 0

Research on the Dispersibility of Sodium Dodecylbenzene Sulfonate (SDBS)-Modified Hydrophobic SiO2 Aerogel in Deionized Water 十二烷基苯磺酸钠（SDBS）改性疏水SiO2气凝胶在去离子水中的分散性研究

IF 1.3 4区化学

Journal of Solution Chemistry Pub Date : 2026-07-21 DOI: 10.1007/s10953-026-01639-4

Chengbo Zhang, Ziteng Xue, Jiaxing Liang, Hengze Zhao, Ye Li, Jiayong Zhang

{"title":"Research on the Dispersibility of Sodium Dodecylbenzene Sulfonate (SDBS)-Modified Hydrophobic SiO2 Aerogel in Deionized Water","authors":"Chengbo Zhang, Ziteng Xue, Jiaxing Liang, Hengze Zhao, Ye Li, Jiayong Zhang","doi":"10.1007/s10953-026-01639-4","DOIUrl":"10.1007/s10953-026-01639-4","url":null,"abstract":"<div><p>To address the critical issue that SiO<sub>2</sub> aerogels are prone to agglomeration and exhibit poor dispersibility in aqueous fire-extinguishing agent systems, sodium dodecylbenzene sulfonate (SDBS), a low-cost and environmentally friendly dispersant, is employed in this study. To ensure efficient dispersion, SDBS is used at a concentration exceeding its critical micelle concentration (CMC). Accordingly, it is essential to investigate the dispersion effect and underlying mechanism under this condition, and further clarify the effective concentration range. The findings reveal that optimal dispersion performance is achieved when the stirring duration is set at 30 min, with an SDBS-to-aerogel mass ratio of 1.5:1. Under these conditions, the modified aerogel suspension exhibits an absolute Zeta potential value exceeding 30 mV, while maintaining a stable viscosity below 1 Pa·s. Analysis suggests that SDBS primarily regulates the dispersion process through electrostatic repulsion effects, hydrogen bond formation, and steric hindrance mechanisms. Furthermore, it is proposed that SDBS micelles undergo self-assembly to form a three-layered structure, comprising the aerogel core, a micellar shell, and an irregular surface-active molecular entanglement layer.</p></div>","PeriodicalId":666,"journal":{"name":"Journal of Solution Chemistry","volume":"55 9","pages":"2330 - 2348"},"PeriodicalIF":1.3,"publicationDate":"2026-07-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148927562","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Interpretable Prediction of (mathrm {CO_2}) Solubility in Physical Solvents Using Kolmogorov–Arnold Networks 利用Kolmogorov-Arnold网络可解释预测(mathrm {CO_2})在物理溶剂中的溶解度

IF 1.3 4区化学

Journal of Solution Chemistry Pub Date : 2026-07-17 DOI: 10.1007/s10953-026-01631-y

Yu Hua, Kuanping Gong, Yongquan Jiang, Fuhua Li

{"title":"Interpretable Prediction of (mathrm {CO_2}) Solubility in Physical Solvents Using Kolmogorov–Arnold Networks","authors":"Yu Hua, Kuanping Gong, Yongquan Jiang, Fuhua Li","doi":"10.1007/s10953-026-01631-y","DOIUrl":"10.1007/s10953-026-01631-y","url":null,"abstract":"<div><p>Accurate prediction of <span>(mathrm {CO_2})</span> solubility in physical solvents is crucial for advancing carbon capture technologies. However, although existing machine learning and deep learning models offer high accuracy, their “black-box\" nature limits their application in engineering practice and scientific discovery. To address the contradiction between accuracy and interpretability, this paper applies Kolmogorov–Arnold Networks (KAN) to <span>(mathrm {CO_2})</span> solubility prediction for the first time, establishing a systematic framework that spans from performance validation to model simplification. First, in terms of the full feature set, KAN performs noticeably better than 10 mainstream methods. Subsequently, to mitigate the impact of feature redundancy on model generalization, seven feature selection methods are systematically evaluated, and Lasso regression is ultimately adopted to determine a 4-dimensional optimal feature subset. The KAN constructed based on this subset achieves a coefficient of determination <span>({(R^2)})</span> of 0.999115. Compared to the second-best method (XGB), <span>({R^2})</span> is improved by 1.17%. More importantly, through pruning and symbolization, KAN yields mathematical expressions highly consistent with physicochemical mechanisms and maintains excellent accuracy (<span>({R^2})</span> of 0.941937), and achieves an 8.18-fold inference speedup over the original KAN model. This work provides interpretable theoretical guidance for solvent selection and optimization in <span>(mathrm {CO_2})</span> capture processes, contributing to the advancement of carbon capture technologies.</p></div>","PeriodicalId":666,"journal":{"name":"Journal of Solution Chemistry","volume":"55 9","pages":"2305 - 2329"},"PeriodicalIF":1.3,"publicationDate":"2026-07-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148927289","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Speciation in Aqueous Solution of the Binary Nickel(II) Complexes with Pyridinecarboxylic Acids and Their Ternary Complexes with Amino Acids 二元镍（II）与吡啶羧酸配合物及其与氨基酸的三元配合物在水溶液中的形态

IF 1.3 4区化学

Journal of Solution Chemistry Pub Date : 2026-07-12 DOI: 10.1007/s10953-026-01630-z

Vito Lubes, Mary Lorena Araujo, Lino Hernández

{"title":"Speciation in Aqueous Solution of the Binary Nickel(II) Complexes with Pyridinecarboxylic Acids and Their Ternary Complexes with Amino Acids","authors":"Vito Lubes, Mary Lorena Araujo, Lino Hernández","doi":"10.1007/s10953-026-01630-z","DOIUrl":"10.1007/s10953-026-01630-z","url":null,"abstract":"<div><p>The speciation of binary Nickel(II) complexes with pyridinecarboxylic acids—Nicotinic Acid (HNic), Picolinic Acid (HPic), and Dipicolinic Acid (H<sub>2</sub>Dipic)—as well as their ternary complexes with various amino acids (Glycine, Asparagine, Lysine, Serine, and Aspartic Acid) was investigated in aqueous solution. The study was conducted using potentiometric measurements (emf(H)) at 25 °C and an ionic strength of 1.0 mol·dm<sup>–3</sup> NaCl. The stability constants were determined by analyzing the potentiometric data with the LETAGROP software. For the binary systems, the formation of [Ni(Nic)]<sup>+</sup>, [Ni(Pic)<sub>n</sub>] (n = 1, 2, 3), and Ni(Dipic)<sub>n</sub> (n = 1, 2) species was established. In the ternary systems, the results indicate the formation of several mixed-ligand species, including protonated complexes such as [Ni(Pic)(HL)]<sup>+</sup> and hydrolyzed species like [Ni(Pic)(L)(OH)]<sup>−</sup> at higher pH values. The coordination behavior of the amino acids was found to be predominantly bidentate, with the side chains of bulky amino acids showing minimal involvement in metal coordination due to steric hindrance. Species distribution diagrams were generated to illustrate the prevalence of these complexes across a wide pH range (2.0–10.0), providing a comprehensive view of the chemical equilibria in these bioinorganic-relevant systems.</p></div>","PeriodicalId":666,"journal":{"name":"Journal of Solution Chemistry","volume":"55 9","pages":"2289 - 2304"},"PeriodicalIF":1.3,"publicationDate":"2026-07-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148927746","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Determination, Correlation, and Thermodynamic Analysis of Solid–Liquid Phase Equilibrium of Salicylic Acid in Pure and Mixed Aqueous Solvents at (288.15 to 313.15) K 在（288.15 ~ 313.15）K下纯水溶剂和混合水溶剂中水杨酸固液相平衡的测定、相关性和热力学分析

IF 1.3 4区化学

Journal of Solution Chemistry Pub Date : 2026-07-08 DOI: 10.1007/s10953-026-01623-y

Atul S. Kale, Sachin S. Kale

引用次数: 0

Exploring the Feasibility of Screening Solubilizing Agents of Insoluble Drugs by Molecular Dynamics Simulation 探索用分子动力学模拟筛选不溶性药物增溶剂的可行性

IF 1.3 4区化学

Journal of Solution Chemistry Pub Date : 2026-07-06 DOI: 10.1007/s10953-026-01627-8

Hongzhen Liu, Qianqian Cheng, Yonggang Chen, Zhenhua Wang

{"title":"Exploring the Feasibility of Screening Solubilizing Agents of Insoluble Drugs by Molecular Dynamics Simulation","authors":"Hongzhen Liu, Qianqian Cheng, Yonggang Chen, Zhenhua Wang","doi":"10.1007/s10953-026-01627-8","DOIUrl":"10.1007/s10953-026-01627-8","url":null,"abstract":"<div><p>The aim of the study was to establish a method for screening solubilizers of poorly soluble drugs based on molecular dynamics simulation technology. The Tyndall effect was used to rapidly screen phenolic acids that have a solubilizing effect on artemisinin. The interaction energy between artemisinin and phenolic acid molecules was calculated using molecular dynamics simulation software. The relationship between solubilizing ability and interaction energy was analyzed and determined. This method was subsequently applied to screen phenolic acids for their solubilizing effects on andrographolide, aceclofenac, and paclitaxel.This study identified phenolic acids, including gallic acid, caffeic acid, and ferulic acid, as enhancers of artemisinin solubility. It was demonstrated that the release of binding energy between phenolic acids and artemisinin correlates with the strength of their solubilization effect. Notably, gallic acid increased the solubilization capacity of artemisinin to 5.8 times its inherent solubility. Furthermore, phenolic acids that enhanced the solubility of andrographolide, aceclofenac, and paclitaxel were identified as 2, 4-dihydroxybenzoic acid, 2, 5-dihydroxybenzoic acid, and trans-4-hydroxy-3-methoxycinnamic acid, respectively. In terms of dispersion, andrographolide increased by 13.3 times, aceclofenac by 23.6 times, and paclitaxel by 69.7 times compared to their solubility.</p></div>","PeriodicalId":666,"journal":{"name":"Journal of Solution Chemistry","volume":"55 9","pages":"2253 - 2263"},"PeriodicalIF":1.3,"publicationDate":"2026-07-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148672119","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Response to the Comments on “Decoding Solute–Co‑Solute Interactions: A Combined Investigation of Bulk and Sonic Behaviour of L‑Serine and L‑Leucine in Potassium Oxalate (KOX) Solutions” 对“解码溶质- co -溶质相互作用：L -丝氨酸和L -亮氨酸在草酸钾（KOX）溶液中的体积和声音行为的联合研究”评论的回应

IF 1.3 4区化学

Journal of Solution Chemistry Pub Date : 2026-07-03 DOI: 10.1007/s10953-026-01629-6

S. Sharma, R. Sharma, V. Kumar, S. Singh, N. Nkosi, M. M. Tshibangu, I. Bahadur

{"title":"Response to the Comments on “Decoding Solute–Co‑Solute Interactions: A Combined Investigation of Bulk and Sonic Behaviour of L‑Serine and L‑Leucine in Potassium Oxalate (KOX) Solutions”","authors":"S. Sharma, R. Sharma, V. Kumar, S. Singh, N. Nkosi, M. M. Tshibangu, I. Bahadur","doi":"10.1007/s10953-026-01629-6","DOIUrl":"10.1007/s10953-026-01629-6","url":null,"abstract":"<div><p>This manuscript presents a response to the commentary on our published article entitled “Decoding Solute–Co-solute Interactions: A Combined Investigation of Bulk and Sonic Behaviour of L-Serine and L-Leucine in Potassium Oxalate (KOX) Solutions” published in Journal of Solution Chemistry (2026) 55:1094–1122; (2026) 55:1094–1122; https://doi.org/10.1007/s10953-025-01544-2 [1]. The concerns raised regarding the experimental methodology, data interpretation, and evaluation of acoustical and thermodynamic parameters have been critically addressed using the original experimental results and established theoretical relations. Clarifications are provided for the calculation procedures and interpretation of molecular interactions in the studied systems. The observed trends and conclusions are further substantiated by their consistency with findings reported in the open literature. The present response confirms the reliability of the experimental data and validates the interpretations presented in the original publication.</p></div>","PeriodicalId":666,"journal":{"name":"Journal of Solution Chemistry","volume":"55 9","pages":"2247 - 2252"},"PeriodicalIF":1.3,"publicationDate":"2026-07-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148926268","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Estimation of Surface Tensions for Binary and Ternary Liquid Mixtures Using Wilson-SurTen Model 用Wilson-SurTen模型估计二元和三元液体混合物的表面张力

IF 1.3 4区化学

Journal of Solution Chemistry Pub Date : 2026-06-22 DOI: 10.1007/s10953-026-01602-3

Hiroyuki Matsuda, Katsumi Tochigi, Tomoya Tsuji, Kiyofumi Kurihara

{"title":"Estimation of Surface Tensions for Binary and Ternary Liquid Mixtures Using Wilson-SurTen Model","authors":"Hiroyuki Matsuda, Katsumi Tochigi, Tomoya Tsuji, Kiyofumi Kurihara","doi":"10.1007/s10953-026-01602-3","DOIUrl":"10.1007/s10953-026-01602-3","url":null,"abstract":"<div><p>This study proposes a novel method for estimating the surface tension (ST) of binary and ternary liquid mixtures based on the Eyring’s theory. Initially, four weighted average models based on mole and mass fractions were evaluated using ideal solution systems. The results confirmed that the Eyring-based weighted average models successfully reproduces experimental ST values. For non-ideal systems, we developed the “Wilson-SurTen model” by incorporating the Wilson model as an excess Gibbs energy model to describe excess ST based on the Eyring’s theory. Model parameters were regressed using the experimental ST data of various binary systems, including both non-aqueous and aqueous systems. The proposed model demonstrated superior correlation performance, particularly in aqueous systems where conventional models often fail. Furthermore, STs for ternary systems were predicted only using binary parameters determined from the constituent binary systems, without additional ternary interaction parameters. The results indicate that the Wilson-SurTen model significantly improves estimation accuracy, particularly for non-ideal aqueous systems. Furthermore, the mass fraction-based approach consistently outperformed the mole fraction-based one in terms of predictive capability.</p></div>","PeriodicalId":666,"journal":{"name":"Journal of Solution Chemistry","volume":"55 9","pages":"2218 - 2246"},"PeriodicalIF":1.3,"publicationDate":"2026-06-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148927906","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0