Journal of Solution Chemistry最新文献

{"title":"Role of Ethylenediammonium Dichromate in the Kinetic and Mechanistic Analysis of the Oxidation of Glycolic and Lactic Acids in Aqueous AcOH Medium","authors":"H. Jain,&nbsp;P. Kharetiya,&nbsp;D. Panday","doi":"10.1007/s10953-023-01359-z","DOIUrl":"10.1007/s10953-023-01359-z","url":null,"abstract":"<div><p>In aqueous acetic acid medium, the kinetics of oxidation of glycolic and lactic acid by ethylenediammonium dichromate [enH₂Cr₂O₇] have been explored. The oxidation product is the corresponding oxoacid. The conventional UV–vis spectrophotometric method is used to study the reaction kinetics. First-order kinetics has been observed concerning [enH₂Cr₂O₇] and with substrate the order is less than two. The fractional-order dependency with respect to substrate confirms the binding of oxidant and substrate to form a complex before rate-determining step. The rate of reaction increases with an increase in [H⁺] concentration. The existence of primary kinetic isotope effect, <i>k</i>_H/<i>k</i>_D = 5.97 at 298K for glycolic acid (ratio of rate constants for protio- and deuterio-glycolic acid) indicated a C–H bond cleavage rather than C–C bond cleavage. Variation of solvent polarity is found to impose a remarkable impact on the rate of oxidation. From the experimental data, formation of an unstable cyclic transition state followed by intra-molecular proton transfer has been proposed. Under similar conditions oxidation of lactic acid was studied.</p></div>","PeriodicalId":666,"journal":{"name":"Journal of Solution Chemistry","volume":"53 8","pages":"1037 - 1051"},"PeriodicalIF":1.4,"publicationDate":"2024-02-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139766412","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":"Ternary (Liquid–Liquid) Equilibrium Experiment and Thermodynamic Modeling for Extraction of Phenol from Water with Different Solvents at Several Temperatures","authors":"Tao Li,&nbsp;Hongyue Guo,&nbsp;Qingsong Li","doi":"10.1007/s10953-023-01340-w","DOIUrl":"10.1007/s10953-023-01340-w","url":null,"abstract":"<div><p>In order to separate phenol from water, at 101.3 kPa, the liquid-liquid equilibria (LLE) data of water + phenol + solvents (trichloromethane, isoamyl alcohol) were obtained at 298.15, 303.15, and 313.15 K. The ability of the extractant to extract phenol from water was evaluated by the distribution coefficient (<i>D</i>) and selectivity coefficient (<i>S</i>). The Bachman and Hand equations were used to verify the reliability of the LLE data with the linear coefficient was greater than 0.98%. The LLE data was correlated with the NRTL and UNIQUAC models to obtain a binary interaction parameter with an RMSD not greater than 0.36%.</p></div>","PeriodicalId":666,"journal":{"name":"Journal of Solution Chemistry","volume":"53 7","pages":"917 - 931"},"PeriodicalIF":1.4,"publicationDate":"2024-02-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139766173","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 of Four DL-Amino Acids at Nine Equidistant Temperatures in Aqueous Mixtures of Dipolar Aprotic N,N-Dimethylformamide and the Solution Thermodynamics","authors":"Soumen Saha,&nbsp;Srabani Ghosh,&nbsp;Dushila Subba,&nbsp;Sumana Mete,&nbsp;Debajyoti Haldar,&nbsp;Bijoy Krishna Dolui","doi":"10.1007/s10953-023-01353-5","DOIUrl":"10.1007/s10953-023-01353-5","url":null,"abstract":"<div><p>The solubilities of the α-amino acids; DL-Tyrosine, DL-Leucine, DL-Isoleucine and DL-Threonine in six compositions of the binary mixture of pure water and dipolar aprotic N,N-dimethylformamide are evaluated by applying ‘analytical gravimetric’ method at nine equidistant temperatures in the range of 278.15 K to 318.15 K under 0.1 MPa pressure. Powder X-Ray diffraction and thermogravimetric analysis are performed to investigate solvate formation in saturated solutions. The equilibrium solubility values are compared with other literature and discussed. The variation of experimental solubility values in all compositions of such binary solvent mixtures at the experimental nine different temperatures are analysed in the light of chemical interactions involved. The standard molar dissolution Gibbs free energy, enthalpy and entropy are computed using the van’t Hoff analysis. The computed values of the same indicate that the process is endothermic. The standard molar Gibbs free energy as controlled by chemical, hydrophilic and hydrophobic interactions, imparts dissolution of the amino acids in the order, DL-Thr &gt; DL-Ile &gt; DL-Leu &gt; DL-Tyr, as induced by the significant roles of side chains of such amino acids.</p></div>","PeriodicalId":666,"journal":{"name":"Journal of Solution Chemistry","volume":"53 7","pages":"956 - 988"},"PeriodicalIF":1.4,"publicationDate":"2024-02-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139766183","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":"Liquid–Liquid Equilibrium for the Ternary System of Water, Methyl Acrylate, and Different Solvents at 303.2 K under 101.3 kPa","authors":"Qingsong Li,&nbsp;Shaohui Jiang,&nbsp;Houchun Yan,&nbsp;Wenyang Fan","doi":"10.1007/s10953-023-01349-1","DOIUrl":"10.1007/s10953-023-01349-1","url":null,"abstract":"<div><p>Methyl acrylate has a wide range of uses, but the production process usually produces aqueous by-products. In this study, four commonly used alcohols (1-pentanol, 1-hexanol, 1-heptanol, and 1-octanol) were selected as extractants to explore the liquid–liquid extraction behavior of water + methyl acrylate + extractants. Through the analysis of partition coefficient (<i>D</i>) and separation coefficient (<i>S</i>), it is found that the data of all systems are greater than 1, indicating that all four alkyl alcohols can well separate methyl acrylate from aqueous solution, and 1-octanol is the best. In addition, the consistency between the binary interaction parameters of regression and tie-line data was tested using Matlab tools, proving that the obtained parameters have good consistency.</p></div>","PeriodicalId":666,"journal":{"name":"Journal of Solution Chemistry","volume":"53 7","pages":"932 - 942"},"PeriodicalIF":1.4,"publicationDate":"2024-01-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139583074","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":"Phase Equilibria of Quaternary System KCl + BaCl2 + SrCl2 + H2O and Its Ternary Systems at 323 K","authors":"Yun-Yun Gao,&nbsp;Shao-Mu Wen,&nbsp;Jian Hu,&nbsp;Li Chen,&nbsp;Yao Tan,&nbsp;Bin Song,&nbsp;You-Quan Liu,&nbsp;Wei Yang","doi":"10.1007/s10953-023-01355-3","DOIUrl":"10.1007/s10953-023-01355-3","url":null,"abstract":"<div><p>To fully understand the metallogenic regularity and the geochemical equilibrium rules of brine migration and transformation among potassium, barium and strontium in gas field water, the isothermal dissolution equilibrium method was used to study the phase equilibria of quaternary system KCl + BaCl₂ + SrCl₂ + H₂O and its two ternary systems BaCl₂ + SrCl₂ + H₂O and KCl + BaCl₂ + H₂O at 323 K. The equilibrium liquid phase compositions of each system was measured, the corresponding equilibrium solid phases were identified by chemical analysis and X-ray powder diffraction, and the equilibrium phase diagrams were drawn. No double salts or solid solutions were found in the ternary systems BaCl₂ + SrCl₂ + H₂O and KCl + BaCl₂ + H₂O at 323 K and the phase diagrams both contain one invariant point, two isothermal solubility curves and two crystallization regions. The hydrate forms in the quaternary system KCl + BaCl₂ + SrCl₂ + H₂O at 323 K are the same as those of its subsystems. The quaternary phase diagram contains one invariant point, three isothermal solubility curves and three crystallization regions, where the equilibrium solid phases are KCl, BaCl₂·2H₂O and SCl₂·6H₂O. These results provide basic thermodynamic data for the design of a comprehensive utilization process of potassium, barium and strontium resources in gas field water.</p></div>","PeriodicalId":666,"journal":{"name":"Journal of Solution Chemistry","volume":"53 7","pages":"943 - 955"},"PeriodicalIF":1.4,"publicationDate":"2024-01-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139518694","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":"Binary Mixtures of 2-Ethyl-1-hexanol and 1, 2-Disubstituted Ethanes: Thermophysical, Ultraacoustic and Computational Studies","authors":"Rajendra Pradhan,&nbsp;Dhruba Jyoti Roy,&nbsp;Soumik Das,&nbsp;Sudarshan Pradhan,&nbsp;Anmol Chettri,&nbsp;Biswajit Sinha","doi":"10.1007/s10953-023-01360-6","DOIUrl":"10.1007/s10953-023-01360-6","url":null,"abstract":"<div><p>Densities (<span>(rho)</span>) and viscosities (<span>(eta)</span>) of the binary mixtures of 2-ethyl-1-hexanol (2-EH) with ethylenediamine, 1,2-dichloroethane (DCE) and monoethanolamine (MEA) were measured at <i>T</i> = (298.15–318.15) K under atmospheric pressure over the entire composition range (<span>(x_{{1}} = 0 - 1.0)</span>). For these binary mixtures ultrasonic speeds (<span>(u)</span>) and refractive indices (<span>(n_{{text{D}}})</span>) were also measured at 298.15 K. With these experimental data the excess molar volumes (<span>(V_{{text{m}}}^{{text{E}}})</span>), viscosity deviations (<span>(Delta eta)</span>), excess molar refractions (<span>(R_{{text{m}}}^{{text{E}}})</span>), excess isentropic compressibility (<span>(kappa_{{text{S}}}^{{text{E}}})</span>) and other derived properties were determined at various experimental temperatures. Such thermophysical properties were discussed in terms of molecular interactions and structural effects well corroborated with IR spectra of the mixtures. Excess molar volumes (<span>(V_{{text{m}}}^{{text{E}}})</span>) of the binary mixtures were used to derive partial molar volumes (<span>(overline{V}_{{text{m,1}}}^{{0}})</span> and <span>(overline{V}_{{{text{m,}},{kern 1pt} {2}}}^{{0}})</span>) and excess partial molar volumes (<span>(overline{V}_{{text{m,1}}}^{{text{0,E}}})</span> and <span>(overline{V}_{{text{m,2}}}^{{text{0,E}}})</span>) at infinite dilution to reveal the volume changes of the binary mixtures. Prigogine-Flory-Paterson theory (PFP), Peng-Robinson Equation of States (PR-EOS) and Bloomfield-Dewan (BF-D) model were used to predict excess molar volumes (<span>(V_{{text{m}}}^{{text{E}}})</span>) and viscosities (<span>(eta)</span>) of the mixtures. Ultrasonic speeds (<span>(u)</span>) of the binary mixtures predicted using empirical or semi-empirical theories like free length theory, Impedance dependence relation, Ideal mixture relation, Junjie’s relation, collision factor theory and Nomoto’s relation, etc. Computational studies have also been performed to establish the degree and nature of solvent–solvent interactions theoretically.</p></div>","PeriodicalId":666,"journal":{"name":"Journal of Solution Chemistry","volume":"53 7","pages":"893 - 916"},"PeriodicalIF":1.4,"publicationDate":"2024-01-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139506443","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":"Temperature and Alkyl Chain Dependence of Physicochemical Properties of Pyrrolidinium‑ and Imidazolium-Based Ionic Liquids","authors":"Abdullah Aljasmi,&nbsp;Adel S. AlJimaz,&nbsp;Khaled H. A. E. AlKhaldi,&nbsp;Mohammad S. AlTuwaim,&nbsp;Meshal F. Alhasan,&nbsp;Abdulaziz Alnajjar","doi":"10.1007/s10953-023-01358-0","DOIUrl":"10.1007/s10953-023-01358-0","url":null,"abstract":"<div><p>At temperatures ranging from 293.15 to 343.15 K and atmospheric pressure, the densities, refractive indices, dynamic viscosities, surface tensions, and sound speeds for [Cnmpyr][[NTf₂] (<i>n</i> = 3,4,6,8), [Cnmpyr][[N(CN)₂] (<i>n</i> = 3,4), [Cnmim][[N(CN)₂] (<i>n</i> = 2,4) and [Bnzmim][[N(CN)₂] were measured and discussed. As expected, all properties decrease as the temperature rises, with dynamic viscosity being the property most affected by the temperature change. Using linear correlation as a function of temperature, the density, speed of sound, surface tension, and refractive index are calculated, whereas the dynamic viscosity is correlated using the well-known Vogel–Fulcher–Tamman (VFT) equation. Using the experimental density data, the corresponding coefficients of thermal expansion were calculated. Furthermore, the Laplace–Newton equation was utilized to determine the isentropic compressibility. Results unveiled that the type of anions has the higher influence on the physical properties of the studied ionic liquids, while the elongation of the alkyl chain is less significant.</p></div>","PeriodicalId":666,"journal":{"name":"Journal of Solution Chemistry","volume":"53 6","pages":"869 - 891"},"PeriodicalIF":1.4,"publicationDate":"2024-01-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139500957","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":"Evaluation of Thermodynamic Model of Pd(II) Complex Formation with Isosaccharinic Acid","authors":"Shingo Kimuro,&nbsp;Yayoi Taneichi,&nbsp;Hajime Iwata,&nbsp;Takamitsu Ishidera,&nbsp;Akira Kitamura,&nbsp;Yukio Tachi,&nbsp;Takeru Tanaka,&nbsp;Kana Hirano,&nbsp;Manami Hieda,&nbsp;Shunsuke Miyabe,&nbsp;Daisuke Kawamoto","doi":"10.1007/s10953-023-01352-6","DOIUrl":"10.1007/s10953-023-01352-6","url":null,"abstract":"<div><p>Palladium-107 is one of the selected radionuclides in the safety assessment of geological disposal of radioactive waste. Although isosaccharinic acid (ISA) forms strong complexes with many elements and enhances element solubility, the thermodynamic evaluation of the complex of Pd with ISA has not been conducted. In this study, the solubility of Pd(OH)₂ at pH 8.5–12.5 in the presence of ISA was investigated under inert gas (N₂) atmosphere. Furthermore, the coordination state of aqueous Pd and ISA was investigated by X-ray absorption and Fourier transform infrared spectroscopy, respectively. According to experimental results, the number of OH ligands in the mixed complex depends on pH. The thermodynamic model and conditional equilibrium constants of the Pd-ISA complex were estimated by slope analyses of solubility experiments at different pH levels and ionic strengths based on the specific ion interaction theory. Hence, the impact of complexation with ISA on Pd(II) solubility under disposal conditions could be quantified using the proposed thermodynamic models in this study.</p></div>","PeriodicalId":666,"journal":{"name":"Journal of Solution Chemistry","volume":"53 6","pages":"854 - 868"},"PeriodicalIF":1.4,"publicationDate":"2024-01-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s10953-023-01352-6.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139500935","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}

{"title":"Ionic Conductivity and Ion Association in Aqueous NaCl + Mannitol Solutions at Temperatures from 293.15 to 313.15 K","authors":"Mahsa Ghasemi Ilkhechi,&nbsp;Rahman Salamat-Ahangari","doi":"10.1007/s10953-023-01341-9","DOIUrl":"10.1007/s10953-023-01341-9","url":null,"abstract":"<div><p>Molar conductances for sodium chloride have been measured in the solvent system mannitol-water covering the solvent composition range from pure water to saturated aqueous mannitol at temperature from 293.15 to 313.15 K at 5 K intervals. According to the Fuoss–Justice conductance equation, limiting molar conductance <span>(Lambda^{infty })</span>, association constants <span>(K_text{A})</span>, and the Walden products were obtained and their variations were in conformity with the thermodynamics study of solvent effect. The Eyring’s activation enthalpy of charge transport <span>(Delta H^{dag })</span> was derived and the results have stipulated that this kinetic procedure depends only on the solvent properties. Ion association thermodynamic quantities, Gibbs energy (<span>(Delta G^{ circ })</span>), enthalpy (<span>(Delta H^{ circ })</span>), and entropy (<span>(Delta S^{ circ })</span>) were also calculated and their interpretation were further supported by other methods. Besides, by appropriate splitting of Gibbs’ energy of association into electrostatic and non-electrostatic contributions.</p></div>","PeriodicalId":666,"journal":{"name":"Journal of Solution Chemistry","volume":"53 6","pages":"773 - 789"},"PeriodicalIF":1.4,"publicationDate":"2024-01-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139476564","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":"Understanding Structure, Hydrogen Bonding, and Hydrogen Transfer in 1,3-Disubstituted Imidazolium Aggregations: A Density Functional Theory Study","authors":"Jingwen Zhou,&nbsp;Xiuliang Sun,&nbsp;Tianpeng Chen,&nbsp;Shuai Xu,&nbsp;Chongpin Huang,&nbsp;Jianwei Li","doi":"10.1007/s10953-023-01346-4","DOIUrl":"10.1007/s10953-023-01346-4","url":null,"abstract":"<div><p>The structure, hydrogen bonding, and hydrogen transfer of 1-butyl-3-methylimidazolium hydroxide ([Bmim]OH) aggregations, including dimer and trimer of carbene(α) and covalent(β) conformation, have been investigated using density functional theory B3LYP together with D3 dispersion correction. The geometrical parameters, Gibbs free energy of formation in gas and solution phases were calculated for aggregates of the complex [Bmim]OH conformation. The strengths and binding energies of different types of H-bonds were predicted by quantum theory of atoms-in-molecules descriptors. The results show that O–H···C hydrogen bonds were formed between most hydroxyl protons and the carbon atom of the carbene ring (C2) in [Bmim]OH aggregations. Furthermore, we examine the proton transfer in dimer and trimer conformation of [Bmim]OH, the reaction pathway for proton transfer from hydroxyl of β-conformer to carbene ring was investigated, and the proton transfer process is energetically favorable.</p></div>","PeriodicalId":666,"journal":{"name":"Journal of Solution Chemistry","volume":"53 6","pages":"841 - 853"},"PeriodicalIF":1.4,"publicationDate":"2024-01-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139422374","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}