Journal of Solution Chemistry最新文献_第7页

Quantum Chemistry-Based Approach for Density Prediction of non-ionic Hydrophobic Eutectic Solvents 基于量子化学的非离子疏水共晶溶剂密度预测方法

IF 1.4 4区化学

Journal of Solution Chemistry Pub Date : 2024-03-01 DOI: 10.1007/s10953-024-01372-w

Gaurav Kumar, Kishant Kumar, Anand Bharti

{"title":"Quantum Chemistry-Based Approach for Density Prediction of non-ionic Hydrophobic Eutectic Solvents","authors":"Gaurav Kumar, Kishant Kumar, Anand Bharti","doi":"10.1007/s10953-024-01372-w","DOIUrl":"10.1007/s10953-024-01372-w","url":null,"abstract":"<div>Non-ionic hydrophobic eutectic solvents have emerged as a new class of eutectic solvents. They are prepared by mixing two non-ionic components. They have gained significant interest compared to their counterpart ionic hydrophobic eutectic solvents and hydrophobic ionic liquids due to the availability of a wide array of non-ionic substances that can be used to prepare these solvents. Understanding the distinct physical characteristics of these solvents is crucial to their practical application within process industries and associated fields. The present work reports the development of a density model for these solvents based on the conductor-like screening model (COSMO), a dielectric continuum solvation model. For this purpose, a comprehensive literature search was carried out, and 485 density points of 37 different hydrophobic non-ionic eutectic solvents were collected. COSMO volume, one of the outputs of the COSMO calculations, was correlated with the experimental molar volume for the model development. Two different models were developed, one at 298.15 K and another a general model that can predict the density over a wide temperature range at atmospheric pressure. The developed model only requires the molar ratio and COSMO volumes of the components forming the eutectic solvents to predict the density. The proposed general model performed better than most other models and was comparable with the best one reported in the literature, with an average relative deviation percent (ARD%) of 1.34%.</div>","PeriodicalId":666,"journal":{"name":"Journal of Solution Chemistry","volume":"53 9","pages":"1195 - 1210"},"PeriodicalIF":1.4,"publicationDate":"2024-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140006715","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

Zinc (II)–Boron (III) Aqueous Complex Formation Between 25 and 70 °C 锌 (II) - 硼 (III) 水络合物在 25 至 70 °C 之间的形成

IF 1.4 4区化学

Journal of Solution Chemistry Pub Date : 2024-02-27 DOI: 10.1007/s10953-023-01357-1

Thomas Raynaud, Martin Bachet, Pascale Bénézeth, Anaïs Graff

{"title":"Zinc (II)–Boron (III) Aqueous Complex Formation Between 25 and 70 °C","authors":"Thomas Raynaud, Martin Bachet, Pascale Bénézeth, Anaïs Graff","doi":"10.1007/s10953-023-01357-1","DOIUrl":"10.1007/s10953-023-01357-1","url":null,"abstract":"<div>The zinc boron complex formation was studied as a function of temperature (25, 50 and 70 °C) in boric acid solutions of various concentration (0.25, 0.50 and 0.68 mol·kg−1). pH was monitored during zinc ion addition by galvanostatic dissolution of a zinc metal electrode, in a solution of boric acid. The determination of the complex formation showed the importance of an accurate model of the polyborate speciation, recalculated for this work based on the previous literature data mainly potentiometric measurements completed by Raman spectroscopy and Ab Initio calculations. Modelling of our experimental results, considering various scenarios of boric acid speciation, was performed using R and PhreeqC, suggesting the formation of an aqueous triborate-zinc (II) complex, ({{text{ZnB}}}_{3}{{text{O}}}_{3}{({text{OH}})}_{4({text{aq}})}^{+},) according to the reaction: ({{text{Zn}}}^{2+}+3{{text{B}}({text{OH}})}_{3} rightleftharpoons {{text{ZnB}}}_{3}{{text{O}}}_{3}{({text{OH}})}_{4({text{aq}})}^{+}+2{{text{H}}}_{2}{text{O}}+{{text{H}}}^{+}). The nature and structure of this aqueous complex disagrees with the results reported previously in the literature. Three formation constants of the triborate-zinc (II) complex were determined at 25, 50 and 70 °C as ({{text{log}}}_{10}{K}_{text{ZnB}}) = − 4.73 ± 0.10, − 4.21 ± 0.16 and − 4.94 ± 0.12, respectively. The evolution of zinc boron complex formation as a function of temperature (between 25 and 70 °C) provides information on the effect of the polyborate predominance in the solution on the complexation of zinc.</div>","PeriodicalId":666,"journal":{"name":"Journal of Solution Chemistry","volume":"53 8","pages":"1017 - 1036"},"PeriodicalIF":1.4,"publicationDate":"2024-02-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140006929","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

Acoustical Studies of Some Derivatives of Pyrimidine-Substituted Azetidine in Binary Liquid Mixture at Different Temperatures 不同温度下二元液体混合物中嘧啶取代氮杂环丁烷某些衍生物的声学研究

IF 1.4 4区化学

Journal of Solution Chemistry Pub Date : 2024-02-22 DOI: 10.1007/s10953-024-01362-y

Dinesh R. Godhani, Umang P. Mehta, Anwar H. Saiyad, Kuldip P. Parmar, Jignasu P. Mehta

引用次数: 0

Salicylic Acid Solubility and Thermodynamic Dissociation Constant at Various Temperatures in Water: Variable Ionic Strength Titrimetric Analysis 不同温度下水杨酸在水中的溶解度和热力学解离常数：可变离子强度滴定分析

IF 1.4 4区化学

Journal of Solution Chemistry Pub Date : 2024-02-21 DOI: 10.1007/s10953-023-01351-7

Sa’ib J. Khouri, Dalya Alsaad, Abdelmnim M. Altwaiq

{"title":"Salicylic Acid Solubility and Thermodynamic Dissociation Constant at Various Temperatures in Water: Variable Ionic Strength Titrimetric Analysis","authors":"Sa’ib J. Khouri, Dalya Alsaad, Abdelmnim M. Altwaiq","doi":"10.1007/s10953-023-01351-7","DOIUrl":"10.1007/s10953-023-01351-7","url":null,"abstract":"<div>Titrimetric methods were used to estimate the molar solubility and apparent acid dissociation constant (Kc) of salicylic acid in water. This was done with varied ionic strength values ranging from 0.00 to 0.75 mol·L−1 and over a temperature range of 15 to 60 °C. The thermodynamic dissociation constant (as pKa) of salicylic acid was found to be 2.985 at 25 °C. Within the measured temperature range, there was no consistent association between the pKa of salicylic acid and the temperature. The pKa values exhibited an inverse relationship with temperatures between 15 and 40 °C, while they showed a direct relationship with temperatures between 40 and 60 °C. Through the use of the Van’t Hoff plot, the standard thermodynamic quantities (∆H°, ∆S°, and ∆G°) for the dissociation process of salicylic acid in water were calculated. For temperatures between 15 and 30 °C, these values were determined as 3.346 kJ·mol−1, − 19.99 JK−1·mol−1, and 9.306 kJ·mol−1 respectively. For the temperature range of 45 to 60 °C, the values were calculated as − 1.499 kJ·mol−1, − 27.06 kJ·K−1·mol−1, and 6.564 kJ·mol−1. The heat of solution (∆H\u0000 °sol\u0000 \u0000 ) was computed using the Van’t Hoff Isochore plot across the temperature range of 15 to 60 °C, resulting in a value of 15.03 kJ·mol−1.</div>","PeriodicalId":666,"journal":{"name":"Journal of Solution Chemistry","volume":"53 7","pages":"1006 - 1016"},"PeriodicalIF":1.4,"publicationDate":"2024-02-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139927412","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

Study of Thermodynamic and Rheological Properties of Sensitive Polymeric Nanoparticles as a Possible Application in the Oil Industry 敏感聚合物纳米粒子的热力学和流变学特性研究--在石油工业中的可能应用

IF 1.4 4区化学

Journal of Solution Chemistry Pub Date : 2024-02-14 DOI: 10.1007/s10953-023-01354-4

Lazaro Ruiz-Virgen, Miguel Angel Hernández-Martínez, Gabriela Martínez-Mejía, Rubén Caro-Briones, José Manuel del Río, Mónica Corea

{"title":"Study of Thermodynamic and Rheological Properties of Sensitive Polymeric Nanoparticles as a Possible Application in the Oil Industry","authors":"Lazaro Ruiz-Virgen, Miguel Angel Hernández-Martínez, Gabriela Martínez-Mejía, Rubén Caro-Briones, José Manuel del Río, Mónica Corea","doi":"10.1007/s10953-023-01354-4","DOIUrl":"10.1007/s10953-023-01354-4","url":null,"abstract":"<div>pH and thermo-sensitive polymeric nanoparticles with different morphology were synthesized by means of emulsion polymerization techniques. The materials were characterized by gravimetric techniques, dynamic light scattering (DLS), electrophoresis, Fourier transform infrared spectroscopy (FT-IR), scanning electron microscopy (SEM) and X-Ray diffraction (XRD). The specific volumetric thermodynamic properties were calculated from density (ρ) and sound velocity (u) measurement and they are influenced by the proportions and location of the functional groups in the polymeric particles and the temperature. Rheological properties were also measured, observing that polymeric materials were a non-Newtonian and pseudo-plastic behavior because of they have a decrease in viscosity (left(eta right)) values as the shear rate rises (left(dot{gamma }right)). In addition, to try to elucidate the behavior that the materials could have with calcite rock in the oil reservoirs, the materials were treated with CaCl2, and changes in the average particle size, colloidal stability and conformation of polymeric chains were observed. The obtained results show that the synthesized polymeric particles could be applied as a possible dosing agent in the interaction with calcium ions (Ca2+) in the calcite rock for petrol industry.</div>","PeriodicalId":666,"journal":{"name":"Journal of Solution Chemistry","volume":"53 1","pages":"5 - 27"},"PeriodicalIF":1.4,"publicationDate":"2024-02-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139766101","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

Density, Speed of Sound, and Refractive Index of Binary Mixtures of Propiophenone + (3-Amino-1-propanol, Propylamine, or Isobutanol) at Temperatures of 298.15 to 308.15 K: Modeling by Prigogine–Flory–Patterson Theory 温度为 298.15 至 308.15 K 时苯丙酮 +（3-氨基-1-丙醇、丙胺或异丁醇）二元混合物的密度、声速和折射率：普里戈金-弗洛里-帕特森理论建模

IF 1.4 4区化学

Journal of Solution Chemistry Pub Date : 2024-02-13 DOI: 10.1007/s10953-023-01350-8

Fakhri Kermanpour, Hadi Taheri Parsa, Fatemeh Sheykhi

{"title":"Density, Speed of Sound, and Refractive Index of Binary Mixtures of Propiophenone + (3-Amino-1-propanol, Propylamine, or Isobutanol) at Temperatures of 298.15 to 308.15 K: Modeling by Prigogine–Flory–Patterson Theory","authors":"Fakhri Kermanpour, Hadi Taheri Parsa, Fatemeh Sheykhi","doi":"10.1007/s10953-023-01350-8","DOIUrl":"10.1007/s10953-023-01350-8","url":null,"abstract":"<div>In the present work, the density, speed of sound, and refractive index of binary mixtures of propiophenone (PP) with 3-amino-1-propanol (AP), propylamine (PA), or isobutanol (IB) were measured over whole composition range at temperatures 298.15 to 308.15 K and ambient pressure (0.1 MPa). From these experimental data the excess molar volume, ({V}_{text{m}}^{text{E}}), excess isoentropic compressibility, ({kappa }_{text{S}}^{text{E}},) and excess refractive index, ({n}_{text{D}}^{text{E}}), were calculated. The calculated excess molar properties were correlated by Redlich–Kister equation, and their coefficients and standard deviations were calculated. The results show that the ({V}_{text{m}}^{text{E}}) values of PP + AP are positive in the entire composition range and at all temperatures, while the ({V}_{text{m}}^{text{E}}) values of PP + PA and PP + IB mixtures are negative over whole composition range and at all temperatures. The obtained ({V}_{text{m}}^{text{E}}) values were also correlated by Prigogine–Flory–Patterson (PFP) theory which show good agreement between experimental and predicted data.</div>","PeriodicalId":666,"journal":{"name":"Journal of Solution Chemistry","volume":"53 7","pages":"989 - 1005"},"PeriodicalIF":1.4,"publicationDate":"2024-02-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139766250","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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Role of Ethylenediammonium Dichromate in the Kinetic and Mechanistic Analysis of the Oxidation of Glycolic and Lactic Acids in Aqueous AcOH Medium 重铬酸乙二铵在乙醇水溶液介质中乙醇酸和乳酸氧化的动力学和机理分析中的作用

IF 1.4 4区化学

Journal of Solution Chemistry Pub Date : 2024-02-10 DOI: 10.1007/s10953-023-01359-z

H. Jain, P. Kharetiya, D. Panday

{"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, P. Kharetiya, D. Panday","doi":"10.1007/s10953-023-01359-z","DOIUrl":"10.1007/s10953-023-01359-z","url":null,"abstract":"<div>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, kH/kD = 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.</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}

引用次数: 0

Ternary (Liquid–Liquid) Equilibrium Experiment and Thermodynamic Modeling for Extraction of Phenol from Water with Different Solvents at Several Temperatures 用不同溶剂在不同温度下从水中萃取苯酚的三元（液-液）平衡实验和热力学模型

IF 1.4 4区化学

Journal of Solution Chemistry Pub Date : 2024-02-06 DOI: 10.1007/s10953-023-01340-w

Tao Li, Hongyue Guo, Qingsong Li

引用次数: 0

Solubility of Four DL-Amino Acids at Nine Equidistant Temperatures in Aqueous Mixtures of Dipolar Aprotic N,N-Dimethylformamide and the Solution Thermodynamics 四种 DL-氨基酸在 N,N-二甲基甲酰胺双极性丙烯酸水性混合物中九个等温条件下的溶解度及溶液热力学

IF 1.4 4区化学

Journal of Solution Chemistry Pub Date : 2024-02-04 DOI: 10.1007/s10953-023-01353-5

Soumen Saha, Srabani Ghosh, Dushila Subba, Sumana Mete, Debajyoti Haldar, Bijoy Krishna Dolui

{"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, Srabani Ghosh, Dushila Subba, Sumana Mete, Debajyoti Haldar, Bijoy Krishna Dolui","doi":"10.1007/s10953-023-01353-5","DOIUrl":"10.1007/s10953-023-01353-5","url":null,"abstract":"<div>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 > DL-Ile > DL-Leu > DL-Tyr, as induced by the significant roles of side chains of such amino acids.</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}

引用次数: 0

Liquid–Liquid Equilibrium for the Ternary System of Water, Methyl Acrylate, and Different Solvents at 303.2 K under 101.3 kPa 水、丙烯酸甲酯和不同溶剂三元体系在 303.2 K 和 101.3 kPa 下的液液平衡

IF 1.4 4区化学

Journal of Solution Chemistry Pub Date : 2024-01-26 DOI: 10.1007/s10953-023-01349-1

Qingsong Li, Shaohui Jiang, Houchun Yan, Wenyang Fan

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