Journal of Solution Chemistry最新文献

{"title":"Potentiometric Measurements and Modeling of Mean Activity Coefficients of Ternary Electrolyte (KCl + KSCN + H2O) Solution at T = 298.15 ± 0.1 K","authors":"Mohammad Ali Bagherinia","doi":"10.1007/s10953-025-01541-5","DOIUrl":"10.1007/s10953-025-01541-5","url":null,"abstract":"<div><p>In this paper, the mean activity coefficients of potassium chloride (KCl) in the ternary electrolyte system KCl–KSCN–H₂O are determined potentiometrically at 298.15 ± 0.1 K over a total ionic strength range of 0.0017–2.0000 mol·kg⁻¹. A liquid-junction-free galvanic cell is employed to obtain precise measurements. Systematic variations in ionic strength and salt molal ratios are implemented to investigate ion–ion interactions and the resulting thermodynamic properties, including osmotic coefficients and excess Gibbs free energies. The experimental data are analyzed using the Pitzer ion interaction model and the Harned rule. Mixing parameters (θ_ClSCN, ψ_KClSCN) are evaluated via the Pitzer graphical method and Harned interaction coefficients are determined graphically. Both models provided an accurate description of ionic interactions and thermodynamic behavior in the ternary system. The findings of this research contribute to a deeper understanding of the thermodynamic properties of mixed electrolyte solutions, with implications for various chemical and industrial applications.</p></div>","PeriodicalId":666,"journal":{"name":"Journal of Solution Chemistry","volume":"55 5","pages":"1008 - 1027"},"PeriodicalIF":1.3,"publicationDate":"2026-01-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147968106","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}

{"title":"Preparation of Pinecone-Derived Activated Carbon for Catechol Adsorption: Insights from Statistical Physics Modeling","authors":"Kods Oueslati,&nbsp;Amin Naifar,&nbsp;Eder C. Lima,&nbsp;Fatma Aouaini,&nbsp;Beriham Basha,&nbsp;Abdelmottaleb Ben Lamine","doi":"10.1007/s10953-025-01556-y","DOIUrl":"10.1007/s10953-025-01556-y","url":null,"abstract":"<div><p>This study presents a comprehensive experimental and theoretical investigation of Catechol adsorption onto pinecone-derived activated carbon (PB600) for water remediation applications. Adsorption equilibrium data were modeled using four statistical physics-based isotherm formulations, systematically fitted to the experimental results. Convergence was evaluated through rigorous error analysis using reduced chi-square (χ²), residual sum of squares (RSS), coefficient of determination (R²), and adjusted <span>(text R^2_text{adj})</span>. Among the tested scenarios, the monolayer adsorption model with a single energy level provided the best fit, revealing a maximum adsorption capacity (<i>Q</i>ₘₐₓ) of 263.8 mg·g⁻¹ at 298 K. The stereographic analysis showed that the occupation number (<i>n</i>) remained below unity across all temperatures, indicating a horizontal molecular orientation and a multi-point attachment mechanism on the adsorbent surface. The thermodynamic insights derived from the accurate model parameters revealed that surface accumulation is exothermic and spontaneous, as evidenced by the negative values of internal energy and Gibbs free energy. The adsorption energy values remained consistently below 40 kJ·mol⁻¹, confirming that the process is driven by physisorption involving van der Waals forces, π–π interactions, and hydrogen bonding. Additionally, entropy increased with both temperature and concentration, suggesting enhanced molecular disorder at higher loading. A temperature-driven transition in adsorption behavior was observed around 302 K, beyond which the density of receptor sites (<i>N</i>ₘ) increased sharply, indicating thermally induced structural changes in the adsorbent and improved site accessibility. The outcomes demonstrate the potential of PB600 as a high-performance and renewable bio-adsorbent. Its strong adsorption capacity under moderate conditions, combined with low-energy binding characteristics, positions it as a promising material for scalable, eco-friendly treatment of phenolic pollutants. These findings support future development of hybrid or modular filtration systems tailored for real-world applications in industrial and decentralized water purification.</p></div>","PeriodicalId":666,"journal":{"name":"Journal of Solution Chemistry","volume":"55 5","pages":"983 - 1007"},"PeriodicalIF":1.3,"publicationDate":"2026-01-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147968107","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}

{"title":"Determination and Correlation of Solubility of 1,2-difluoro-4,5-dinitrobenzene in Methanol + Water Mixed Solvent","authors":"Yunlu Li,&nbsp;Sha Bai","doi":"10.1007/s10953-025-01543-3","DOIUrl":"10.1007/s10953-025-01543-3","url":null,"abstract":"<div><p>1,2-difluoro-4,5-dinitrobenzene (DFDNB), as a new type of insensitive fused explosive carrier, has the advantages of high energy density, good thermal stability, and low mechanical sensitivity. Its purity directly affects the use of the product. However, there is still a lack of systematic research on the solubility of DFDNB, which seriously restricts the development and optimization of its purification process. In response to this issue, this study used the laser dynamic method to determine the solubility of DFDNB in a methanol + water binary mixed solvent system within the temperature range of 279.15 ~ 333.15 K and constructed a complete solubility curve. At the same time, Hansen solubility parameters were used to quantitatively analyze the solubility of DFDNB in the binary system. To enhance the theoretical guidance value of the data, the Apelblat equation, Yaws model, Van’t Hoff equation, General Cosolvency model, and Jouyban–Acree model were used to correlate and predict the experimental data. The goodness of fit (<i>R</i>² &gt; 0.99) of all models showed good applicability. This study not only fills the gap in solubility data of DFDNB, but also provides a key theoretical basis for the optimization of its crystallization purification process, such as solvent ratio screening and temperature control strategy.</p></div>","PeriodicalId":666,"journal":{"name":"Journal of Solution Chemistry","volume":"55 5","pages":"962 - 982"},"PeriodicalIF":1.3,"publicationDate":"2026-01-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147968096","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}

{"title":"Thermodynamic Properties of Binary Liquid Mixtures of Benzyl Amine and O-Substituted Anilines (2-Methoxyaniline, 2-Chloroaniline, 2-Methylaniline) at Varying Temperatures","authors":"Acha Swapna,&nbsp;Srinivasa Reddy Bireddy,&nbsp;Kasturi Srinivas,&nbsp;Balakrishna Matkala,&nbsp;Siddhartha Marupati,&nbsp;Bolloju Satheesh","doi":"10.1007/s10953-025-01553-1","DOIUrl":"10.1007/s10953-025-01553-1","url":null,"abstract":"<div><p>The density and viscosity of binary liquid mixtures of benzyl amine and o-substituted anilines (2-methoxyaniline, 2-chloroaniline, and 2-methylaniline) covering the entire composition of benzyl amine were measured at temperatures <i>T</i> = 303.15–313.15 K with 5 K intervals and at atmospheric pressure. Using measured data, thermodynamic properties such as excess molar volume and deviation in viscosity were evaluated. The variation of these parameters has been interpreted in relation to developing of new intermolecular interactions in these mixtures. The results show that the extent of benzyl amine + o-substituted amines interactions follows the order: 2-methoxyaniline &gt; 2-chloroaniline &gt; 2-methylaniline. Furthermore, the computed data along with experimental data were also correlated to compositions using Redlich–Kister polynomial and Jouyban–Acree models. In addition, the excess molar volume was theoretically characterized using Prigogine–Flory–Patterson theory.</p></div>","PeriodicalId":666,"journal":{"name":"Journal of Solution Chemistry","volume":"55 5","pages":"940 - 961"},"PeriodicalIF":1.3,"publicationDate":"2026-01-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147967927","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}

{"title":"Comments Regarding “Solid–Liquid Equilibrium Solubility and Thermodynamic Properties of 2,4,6-Trinitro-3-Bromoanisole in Different Pure Solvents”","authors":"Divya Mohanraj,&nbsp;Nitya Damera,&nbsp;William E. Acree Jr.","doi":"10.1007/s10953-025-01550-4","DOIUrl":"10.1007/s10953-025-01550-4","url":null,"abstract":"<div><p>A polemic is given regarding the mathematical representation of the mole fraction solubility data reported in the published paper by Liu and coworkers. The authors incorrectly used the Jouyban–Acree model to mathematically describe the solubility behavior of 2,4,6-trinitro-3-bromoanisole in water and in eleven organic mono-solvents. The Jouyban–Acree model describes solubility in mixed solvent, and not neat mono-solvents. Moreover, a reanalysis of the authors’ measured mole fraction solubility data found that many of the apparent thermodynamic properties of dissolution of 2,4,6-trinitro-3-bromoanisole are incorrect.</p></div>","PeriodicalId":666,"journal":{"name":"Journal of Solution Chemistry","volume":"55 5","pages":"935 - 939"},"PeriodicalIF":1.3,"publicationDate":"2026-01-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147968089","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}

{"title":"From Absorption Shifts to Frontier Orbitals: A Comprehensive Optical Study of a Cyano-Functionalized Liquid Crystal","authors":"Gülşen Pirbudak Altıntaş,&nbsp;Yadigar Gülseven Sıdır","doi":"10.1007/s10953-025-01546-0","DOIUrl":"10.1007/s10953-025-01546-0","url":null,"abstract":"<p>The nematic liquid crystal 4′-(hexyloxy)-4-biphenylcarbonitrile (HOBC) was examined to elucidate its solvent-dependent optical, solvatochromic, and electronic properties through combined experimental and theoretical approaches. Solvatochromic behavior was characterized by analyzing UV-vis absorption and fluorescence spectra across a range of solvents, with solvent–solute interactions interpreted using the Kamlet–Aboud–Taft (KAT) and Catalán (CAT) linear solvation energy relationship models. Prominent <i>π</i>–<i>π</i>* and <i>n</i> → <i>π*</i> transitions exhibited bathochromic shifts in polar solvents, indicating the presence of intramolecular charge transfer (ICT) mechanisms. Ground and excited state dipole moments were calculated via multiple solvatochromic shift models, revealing notable changes in dipole strength upon electronic excitation. Quantum chemical calculations based on DFT/B3LYP/6-311 + + G(d,p) provided insight into the HOMO–LUMO energy levels, electrostatic potential distribution, solvent-accessible surface, and global reactivity descriptors. The optical band gap (<i>E</i>_g), calculated using the Tauc method, varied between 3.06 and 3.79 eV depending on solvent polarity, supporting the insulating nature of the compound. Refractive index values determined using five empirical equations ranged from 1.4 to 2.7. Fluorescence emission behavior pointed to a twisted intramolecular charge transfer (TICT) process. Collectively, these findings highlight the strong sensitivity of HOBC to its chemical environment, making it a promising material for solvent-sensitive optical and optoelectronic applications.</p>","PeriodicalId":666,"journal":{"name":"Journal of Solution Chemistry","volume":"55 5","pages":"909 - 934"},"PeriodicalIF":1.3,"publicationDate":"2026-01-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147968109","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}

{"title":"The Solvation Ability of Alizarin Yellow GG in Aqueous Binary Systems Contributed to the Solvent Entities in a Cybotactic Region: Solvatochromism, Solvation Parameters, and Regression Analysis Approach","authors":"Sokaina Saad Hemdan,&nbsp;Asma Mansour,&nbsp;Radwan Alnajjar","doi":"10.1007/s10953-025-01549-x","DOIUrl":"10.1007/s10953-025-01549-x","url":null,"abstract":"<div><p>The electronic absorption spectra of alizarin yellow GG (AYGG) were recorded in various aqueous binary mixtures, ranging from pure water to pure cosolvent (0 to 1 volume fraction). The preferential solvation behavior of AYGG in these mixed solvents was analyzed using the solvent exchange model, exploring the relationship between the empirical solvent polarity scale (<i>E</i>_T values) and solvent composition. Non-linear solvatochromic behavior of AYGG was observed across all aqueous mixtures. The local mole fractions of each solvent in the cybotactic region around the solute were determined to evaluate how the composition of the solvating shell influences preferential solvation. This analysis accounted for both solute–solvent and solvent–solvent interactions. Results indicated that the solvation shell of AYGG becomes saturated with a solvent complex (<i>S</i>₁₂), following the order: acetonitrile &gt; ethanol &gt; methanol &gt; dioxane. Spectral data in binary mixtures were further interpreted using the McRae equation, considering both refractive index and dielectric constant. It was found that the polarity function <i>f</i>(<i>n</i>) (based on refractive index) had a greater impact on spectral shifts than the combined polarity function <i>f</i>(<i>ε,n</i>), highlighting the dominant role of dispersion interactions. Additionally, solvatochromic shifts in the binary solvent systems were analyzed using Kamlet–Taft (KAT) parameters within a multi-model framework. The results demonstrated that the hydrogen bond donating and hydrogen bond accepting abilities (specific interaction) have a greater influence on the spectral behavior of AYGG.</p></div>","PeriodicalId":666,"journal":{"name":"Journal of Solution Chemistry","volume":"55 6","pages":"1160 - 1180"},"PeriodicalIF":1.3,"publicationDate":"2026-01-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148236864","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}

{"title":"Solubility Measurement and Modeling of 2HNIW·HMX Co-Crystal in Nine Mono Solvents","authors":"Qian Jia,&nbsp;Hong Liu,&nbsp;Yuxin Liu,&nbsp;Tao Ding","doi":"10.1007/s10953-025-01557-x","DOIUrl":"10.1007/s10953-025-01557-x","url":null,"abstract":"<div><p>The solubility of the 2HNIW∙HMX co-crystal was experimentally determined in nine mono solvents (methyl acetate, ethyl acetate, acetonitrile, butanone, toluene, m-xylene, methanol, dichloromethane, and 1,2-dichloroethane) over the temperature range 283.15–313.15 K at atmospheric pressure using the gravimetric method. The solubility decreased with increasing temperature in methyl acetate and ethyl acetate, while an increasing trend was observed in the other seven solvents. Among all solvents, methyl acetate exhibited the highest average solubility (0.02687, mole fraction), whereas methanol showed the lowest (0.0004103, mole fraction). Analysis of solvent properties indicated that the dissolution behavior involves a complex interplay of factors such as polarity and cohesive energy density. The experimental solubility data were correlated with four thermodynamic models (the van’t Hoff equation, the modified Apeblat equation, the Yaws model, and the polynomial empirical equation). The modified Apeblat equation and Yaws model provided the best agreement with the measured data. Thermodynamic dissolution parameters, including the standard enthalpy change (<span>(Delta {H}_{text{sol}}^{^circ })</span>), the standard entropy change (<span>(Delta {S}_{text{sol}}^{^circ })</span>), and the standard Gibbs free energy change (<span>(Delta {G}_{text{sol}}^{^circ })</span>), were derived based on the van’t Hoff equation and Gibbs equations. The positive values of <span>(Delta {G}_{text{sol}}^{^circ })</span> across all solvents indicate that the dissolution process is non-spontaneous. This study provides essential solubility data, model parameters, and thermodynamic insights that support the optimization of crystallization processes and further theoretical investigations of the 2HNIW∙HMX co-crystal.</p></div>","PeriodicalId":666,"journal":{"name":"Journal of Solution Chemistry","volume":"55 5","pages":"889 - 908"},"PeriodicalIF":1.3,"publicationDate":"2026-01-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147968028","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}

{"title":"Vibrational Spectral Studies of HClO4–DMSO Solutions: Hydrogen Bonding Data for Cation (DMSO)2H+","authors":"Alexander I. Karelin,&nbsp;Evgeny A. Sanginov","doi":"10.1007/s10953-025-01555-z","DOIUrl":"10.1007/s10953-025-01555-z","url":null,"abstract":"<div><p>The solutions of anhydrous perchloric acid in dimethyl sulfoxide, denoted as HClO₄·<i>n</i>DMSO (<i>n</i> = 2.0, 3.0, 3.2, 3.7, 8.2, and 16), as well as DClO₄·2DMSO, HClO₄·2DMSO-<i>d</i>₆, and DClO₄·2DMSO-<i>d</i>₆, were first prepared and studied at room temperature using FTIR absorption and Raman spectroscopy in the frequency range 50–4000 cm^–1 with measurements of the depolarization degree for Raman lines. The assignment of observed fundamental frequencies was suggested. It has been shown that the dissolution of HClO₄/DClO₄ in DMSO/DMSO-<i>d</i>₆ results in the complete acid ionization with the formation of ion pairs, such as (DMSO)₂H⁺ClO₄^–, (DMSO)₂D⁺ClO₄^–, (DMSO-<i>d</i>₆)₂H⁺ClO₄^–, and (DMSO-<i>d</i>₆)₂D⁺ClO₄^–. Two solvent molecules inside the complex cation are held together by a proton through the formation of a strong hydrogen bond. The (DMSO)₂H⁺ cation is characterized by a continuous IR band ν_as(OH⁺O) at 1250 cm^–1 and a singlet IR band ν(SO) at 811 ± 10 cm^–1; (DMSO-<i>d</i>₆)₂H⁺ is identified by a continuous band ν_as(OH⁺O) at 1256 cm^–1 and a resonance doublet ν(SO) at 737 and 844 cm^–1; (DMSO)₂D⁺ shows a broad band ν_as(OD⁺O) with a maximum at ~ 877 cm^–1 and a singlet ν(SO) at 800 ± 10 cm^–1; (DMSO-<i>d</i>₆)₂D⁺ is characterized by a broad band ν_as(OD⁺O) at ~ 816 cm^–1 and a resonance doublet ν(SO) at 724 and 870 cm^–1. Physical property studies have shown that solutions with <i>n</i> = 2.0 can crystallize under the influence of small temperature variations. Therefore, their liquid state is metastable.</p></div>","PeriodicalId":666,"journal":{"name":"Journal of Solution Chemistry","volume":"55 5","pages":"866 - 888"},"PeriodicalIF":1.3,"publicationDate":"2026-01-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147967988","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}

{"title":"Structure of Concentrated Aqueous Solutions of Alkaline Earth Metal Chlorides and Bromides","authors":"Éva G. Bajnóczi,&nbsp;Kajsa G. V. Sigfridsson Clauss,&nbsp;Ingmar Persson","doi":"10.1007/s10953-025-01559-9","DOIUrl":"10.1007/s10953-025-01559-9","url":null,"abstract":"<div><p>The magnesium, calcium, strontium and barium ions bind six, eight, eight and nine water molecules in the first hydration shell, and ca. 12, 16, 16 and 18 water molecules in the second one, in dilute aqueous solution, respectively. With increasing concentration of alkaline earth metal halides, water molecules in the second hydration shell are exchanged for hydrated chloride and bromide ions forming solvent shared ion–pairs. At high concentrations the coordination number of the calcium and strontium ions decreases to seven in aqueous solution, while the magnesium and barium ions maintain their octahedral and nine–coordinate configuration, respectively. In the case of highly concentrated calcium chloride solutions a di– or polymeric complex with a double aqua bridge is formed. The inner–coordination shell of water molecules remains in solid magnesium halide hydrates precipitated from aqueous solution. Dimeric and polymeric aqua complexes of hydrated calcium, strontium and barium halides form in the solid state. However, except for highly concentrated calcium chloride solutions, such complexes have not been detected in aqueous solution.</p><h3>Graphical Abstract</h3><div><figure><div><div><picture><source><img></source></picture><span>The alternative text for this image may have been generated using AI.</span></div></div></figure></div></div>","PeriodicalId":666,"journal":{"name":"Journal of Solution Chemistry","volume":"55 5","pages":"851 - 865"},"PeriodicalIF":1.3,"publicationDate":"2026-01-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s10953-025-01559-9.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147968027","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}