Journal of Chemical & Engineering Data最新文献_第9页

Effects of Residual Extractants on the Thermodynamics and Kinetics of Potassium Dihydrogen Phosphate Crystallization and Its Mechanism 残余萃取剂对磷酸二氢钾结晶热力学动力学的影响及其机理

IF 2.4 3区工程技术

Journal of Chemical & Engineering Data Pub Date : 2026-08-13 Epub Date: 2026-07-13 DOI: 10.1021/acs.jced.6c00181

Xiongtao Ji, Yucui Sun, Guodong Wang, Yingying Li, Darun Yang, Heng Li, Wei Jiang, Kejian Fu, Hang Ma

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Paving the Way for Understanding the Binding and Molecular Aspects of PEG 400 + Propane-1,2,3-triol (Glycerol) Binary Mixtures at Different Temperatures through Their Thermophysical, Thermodynamic, and Theoretical Properties 通过热物理、热力学和理论性质，为理解PEG 400 +丙烷-1,2,3-三醇（甘油）二元混合物在不同温度下的结合和分子方面铺平道路

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Journal of Chemical & Engineering Data Pub Date : 2026-08-13 Epub Date: 2026-05-28 DOI: 10.1021/acs.jced.6c00025

Brenda Freires Ferreira, Matheus Teixeira Dias, Hugo Andersson Dantas Medeiros, Marcus Vinicius Fernandes Rodrigues, Norberto de Kássio Vieira Monteiro, Hosiberto Batista de Sant’ Ana, Francisco Avelino

{"title":"Paving the Way for Understanding the Binding and Molecular Aspects of PEG 400 + Propane-1,2,3-triol (Glycerol) Binary Mixtures at Different Temperatures through Their Thermophysical, Thermodynamic, and Theoretical Properties","authors":"Brenda Freires Ferreira, Matheus Teixeira Dias, Hugo Andersson Dantas Medeiros, Marcus Vinicius Fernandes Rodrigues, Norberto de Kássio Vieira Monteiro, Hosiberto Batista de Sant’ Ana, Francisco Avelino","doi":"10.1021/acs.jced.6c00025","DOIUrl":"https://doi.org/10.1021/acs.jced.6c00025","url":null,"abstract":"The study of thermodynamic properties provides insightinto thebehavior of liquid mixtures. This work investigates the thermophysicaland volumetric properties, as well as the excess activation of viscousflow properties of poly(ethylene glycol) 400 (PEG 400) + glycerolsolutions at different compositions (xPEG400 = 0.0–1.0, ΔxPEG400 ≈0.2) and temperatures (298.15–373.15 K) under atmospheric pressure(0.1 MPa). Absolute density (ρ), dynamic viscosity (η),activation energy for viscous flow (E‡a), and thermal expansivity (α) were determined, together withthe excess molar viscous flow properties such as ΔG‡,Em, ΔS‡,Em, ΔH‡,Em, and excess molar volume (VEm). Molecular dynamics simulations were employed to obtain the density,kinematic viscosity (ν), thermal expansivity, and average hydrogenbond numbers, while intermolecular interactions were analyzed usingnoncovalent interaction (NCI) analysis based on the reduced densitygradient. The results indicate that PEG 400 concentration and temperatureaffect viscosity and related thermodynamic properties, mainly associatedwith changes in the hydrogen bonding between PEG and glycerol. Increasingtemperature weakened these interactions, leading to lower viscositiesand activation energies. Theoretical results followed trends consistentwith experimental observations.","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"71 8","pages":"3210–3221"},"PeriodicalIF":2.4,"publicationDate":"2026-08-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148729862","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

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Solid-Liquid Phase Equilibrium and Dissolution Properties of Oxalyl Dihydrazide Form α in Pure Organic Solvents 纯有机溶剂中草酰二肼形式α的固液相平衡及溶出性质

IF 2.4 3区工程技术

Journal of Chemical & Engineering Data Pub Date : 2026-08-13 Epub Date: 2026-07-29 DOI: 10.1021/acs.jced.6c00234

Yufeng Miao, Yanfei Sun, Yanbo Hou, Yu Qiao, Yuan Gao, Jun Luo

{"title":"Solid-Liquid Phase Equilibrium and Dissolution Properties of Oxalyl Dihydrazide Form α in Pure Organic Solvents","authors":"Yufeng Miao, Yanfei Sun, Yanbo Hou, Yu Qiao, Yuan Gao, Jun Luo","doi":"10.1021/acs.jced.6c00234","DOIUrl":"https://doi.org/10.1021/acs.jced.6c00234","url":null,"abstract":"Oxalyl dihydrazide (ODH) is a polymorphic organic compound,anddistinct ODH polymorphs possess disparate physicochemical properties,including melting point, solubility, and dissolution kinetics. Underatmospheric pressure, the dynamic method was applied to obtain solid–liquidphase equilibrium information on α-ODH within the temperaturerange of 293.15–353.15 K. Twelve pure solvents were selectedfor the tests, namely, water, ethanol, acetic acid, dimethyl sulfoxide(DMSO), N-methyl-2-pyrrolidone (NMP), N-ethyl-2-pyrrolidone (NEP), N,N-dimethylacetamide(DMAC), N,N-diethylformamide (DEF), N,N-dimethylformamide (DMF), 1,3-dimethyl-2-imidazolidinone (DMI), hexamethylphosphoramide(HMPA), and formamide. Experimental results indicated that the solubilityof α-ODH monotonically increased with the increase in temperaturein all tested solvents. Three thermodynamic models (van’t Hoffequation, Yaws model, and the modified Apelblat equation) were employedto correlate the measured solubility data. In addition, the dissolutionthermodynamic properties (Gibbs free energy, entropy, and enthalpy)of α-ODH in the tested solvents were calculated based on theexperimental solubility data and the van’t Hoff equation. Moreover,Hirshfeld surface analysis was implemented to characterize dominantintermolecular contacts inside the α-ODH crystal lattice. Theacquired solubility data offers reliable fundamental support for industrialcrystallization optimization of α-ODH.","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"71 8","pages":"3622–3630"},"PeriodicalIF":2.4,"publicationDate":"2026-08-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148729799","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

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Thermophysical and Spectroscopic Investigation of Binary Mixtures of Cumene with Pentan-1-ol and Hexan-1-ol at Temperatures from 298.15 to 323.15 K 298.15 ~ 323.15 K温度下异丙烯与戊烷-1-醇和己烷-1-醇二元混合物的热物理和光谱研究

IF 2.4 3区工程技术

Journal of Chemical & Engineering Data Pub Date : 2026-08-13 Epub Date: 2026-07-30 DOI: 10.1021/acs.jced.6c00049

M. Ashraf Uddin, M. Maruf Hasan, M. Mehedi Hasan Rocky, Abul Fazal M. Sanaullah, Ismail Rahman

{"title":"Thermophysical and Spectroscopic Investigation of Binary Mixtures of Cumene with Pentan-1-ol and Hexan-1-ol at Temperatures from 298.15 to 323.15 K","authors":"M. Ashraf Uddin, M. Maruf Hasan, M. Mehedi Hasan Rocky, Abul Fazal M. Sanaullah, Ismail Rahman","doi":"10.1021/acs.jced.6c00049","DOIUrl":"https://doi.org/10.1021/acs.jced.6c00049","url":null,"abstract":"Densities(ρ) and viscosities (η) of binary mixturesof cumene with pentan-1-ol and hexan-1-ol were measured over the fullcomposition range at (298.15–323.15) K and 0.10 MPa. From theseexperimental data, excess molar volumes (VmE), partial molar volumes (V̅i), viscosity deviations (Δη), isobaricthermal expansivities (α) and their excessvalues (αE), and excess Gibbs freeenergies of activation for viscous flow (ΔG≠E) were calculated to elucidate the nature ofintermolecular interactions. For both systems, VmE values were mostly positive, whereas Δηand ΔG≠E were negative, indicatingdisruption of alcohol self-association, volume expansion upon mixing,and reduced resistance to viscous flow. The magnitude of VmE increased with temperature but decreasedwith alcohol chain length, reflecting stronger dispersive contributionsin the hexan-1-ol system. FT-IR spectra of equal-volume mixtures showedblue shifts (∼25–26 cm–1) in the O–Hstretching band, confirming hydrogen-bond weakening and possible weakO–H···π interactions. Excess propertieswere well correlated by the Redlich–Kister equation, whilethe Jouyban–Acree model accurately represented ρ andη. Among the viscosity models examined, the Ausländerand McAllister four-body models provided the best performance.","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"71 8","pages":"3222–3237"},"PeriodicalIF":2.4,"publicationDate":"2026-08-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148718504","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

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Effect of LiNO3 Modification on UiO-66-nLiNO3 for CO2, CH4, and N2 Adsorption Performance from Low to High Pressures 改性LiNO3对UiO-66-nLiNO3从低压到高压对CO2、CH4和N2吸附性能的影响

IF 2.4 3区工程技术

Journal of Chemical & Engineering Data Pub Date : 2026-08-13 Epub Date: 2026-07-10 DOI: 10.1021/acs.jced.6c00146

Shasha Wu, Wenyu Li, Li Yang, Zhen Chen, Yuanhang Qin, Lunyong Yuan, Wei Sun

{"title":"Effect of LiNO3 Modification on UiO-66-nLiNO3 for CO2, CH4, and N2 Adsorption Performance from Low to High Pressures","authors":"Shasha Wu, Wenyu Li, Li Yang, Zhen Chen, Yuanhang Qin, Lunyong Yuan, Wei Sun","doi":"10.1021/acs.jced.6c00146","DOIUrl":"https://doi.org/10.1021/acs.jced.6c00146","url":null,"abstract":"This study systematically investigates the influenceof lithiumnitrate (LiNO3) modification on the gas adsorption characteristicsof UiO-66. The adsorption isotherms for carbon dioxide (CO2), methane (CH4), and nitrogen (N2) were acquiredwithin a pressure range of 0 to 20 bar. The results from the cyclictesting indicate that the UiO-66–0.05LiNO3 variantexhibits commendable stability. Notably, the incorporation of LiNO3 enhances the CO2 adsorption capacity by 29.48%,reaching 2.24 mmol·g–1 at a pressure of 1 bar.This is attributed to the introduction of lithium ions, which enhancethe electrostatic interaction between CO2 and the MOF.Analysis of the high-pressure data reveals that the Langmuir–Freundlichmodel provides the most robust fit, whereas the Langmuir and Dual-siteLangmuir models demonstrate increased discrepancies as pressure escalates.According to calculations based on the Ideal Adsorption Solution Theory(IAST), the maximum selectivity of the material for the CO2/CH4 and CO2/N2 mixtures is 11.5and 56.0, respectively. These results suggest that LiNO3 modification significantly enhances both the adsorption capacityand the selectivity for CO2 separation.","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"71 8","pages":"3669–3680"},"PeriodicalIF":2.4,"publicationDate":"2026-08-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148729422","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

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Measurement and Modeling of the Solubility of Copper(II) Acetylacetonate in CO2 and CO2/Acetonitrile Mixtures 乙酰丙酮铜（II）在CO2和CO2/乙腈混合物中的溶解度的测量和建模

IF 2.4 3区工程技术

Journal of Chemical & Engineering Data Pub Date : 2026-08-13 Epub Date: 2026-08-04 DOI: 10.1021/acs.jced.6c00297

Donghwi Kim, Dongho Yoo, Tae Jun Yoon

{"title":"Measurement and Modeling of the Solubility of Copper(II) Acetylacetonate in CO2 and CO2/Acetonitrile Mixtures","authors":"Donghwi Kim, Dongho Yoo, Tae Jun Yoon","doi":"10.1021/acs.jced.6c00297","DOIUrl":"https://doi.org/10.1021/acs.jced.6c00297","url":null,"abstract":"The solubility of copper(II) acetylacetonate [Cu(acac)2] in carbon dioxide (CO2) and CO2/acetonitrilemixtures was measured at 313.15, 333.15, and 353.15 K and pressuresup to 200 bar using a static gravimetric method. Since Cu(acac)2 decomposes before melting, its critical properties cannotbe measured experimentally. To model this system alongside literaturedata, four thermodynamic models were evaluated: the Peng–Robinson(PR), Perturbed-Chain Statistical Associating Fluid Theory (PC-SAFT),modified Chrastil, and Méndez–Santiago–Teja equations.Regressing the critical properties within the PR framework yieldedphysically implausible behavior, highlighting the limitations of cubicequations of state for thermally unstable precursors. For PC-SAFT,we implemented a COSMO-constrained parametrization strategy to determinethe segment parameters (m and σ), successfullycircumventing parameter degeneracy. The resulting model outperformedthe PR equation of state and achieved accuracy comparable to the semiempiricaldensity-scaling correlations. For the ternary system, both the density-scalingmodels and PC-SAFT─utilizing a cross-association scheme─satisfactorilyreproduced the cosolvent-induced solubility enhancement. This improvementis attributed to localized Lewis acid–base coordination betweenthe nitrile lone pair and the electron-deficient copper center.","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"71 8","pages":"3489–3503"},"PeriodicalIF":2.4,"publicationDate":"2026-08-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148729538","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

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Equilibrium Solubility, Optical, and Thermodynamic Properties of (Na, K) Pyrophosphate Solutions at Various Temperatures 不同温度下（Na， K）焦磷酸盐溶液的平衡溶解度、光学和热力学性质

IF 2.4 3区工程技术

Journal of Chemical & Engineering Data Pub Date : 2026-08-13 Epub Date: 2026-07-30 DOI: 10.1021/acs.jced.6c00006

Sidi Mohammed Aboufaris El Alaoui, Loubna Ghallali, Mohamed EL Guendouzi

{"title":"Equilibrium Solubility, Optical, and Thermodynamic Properties of (Na, K) Pyrophosphate Solutions at Various Temperatures","authors":"Sidi Mohammed Aboufaris El Alaoui, Loubna Ghallali, Mohamed EL Guendouzi","doi":"10.1021/acs.jced.6c00006","DOIUrl":"https://doi.org/10.1021/acs.jced.6c00006","url":null,"abstract":"-The equilibrium solubility and physicochemical propertiesof potassiumand sodium pyrophosphates in aqueous solutions were investigated atvarious temperatures. Water activity measurements for the binary systemswere carried out from dilute to saturated solutions at temperatures298.15 and 353.15 K. The osmotic and activity coefficients were evaluatedusing thermodynamic models, which reproduce accurately the experimentaldata and describe the non-ideal behavior over the studied molalityand temperature ranges. Based on water activity, the Pitzer, extendedion interaction, and Clegg–Pitzer–Brimblecombe modelswere developed to evaluate the thermodynamic properties of K4P2O7(aq) and Na4P2O7(aq). Good agreement was obtained with the osmotic coefficientdata over the molality and temperature ranges. The solubilities ofNa4P2O7 and K4P2O7 in aqueous solutions were measured at each temperaturebetween 298.15 and 353.15 K; they vary from 0.232 to 1.498 mol·kg–1 for Na4P2O7 andfrom 2.456 to 5.211 mol·kg–1, for K4P2O7 over the temperature range. The solidprecipitates were characterized by X-ray diffraction. The thermodynamicsolubility product ln K°sp(calc), as well as the standard Gibbs molarenergies of dissolution ΔG°diss and formation ΔG°fwere evaluated at different temperatures for these binary systems.Optical absorption spectra and energy band gaps Eg of solid phases were also investigated across the temperaturerange.","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"71 8","pages":"3190–3209"},"PeriodicalIF":2.4,"publicationDate":"2026-08-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148729634","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

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Solid–Liquid Phase Diagram of the FeSO4–MgSO4–MnSO4–H2O Quaternary Water-Salt System and Its Subsystems at 40 °C 40℃时FeSO4-MgSO4-MnSO4-H2O季系水盐体系及其子系统的固液相图

IF 2.4 3区工程技术

Journal of Chemical & Engineering Data Pub Date : 2026-08-13 Epub Date: 2026-07-22 DOI: 10.1021/acs.jced.6c00167

Lin Deng, Mei Liu, Guangqiang Ma, Tingting Wu, Beilei Yan, Xuehua Mao, Hongwei Ge

{"title":"Solid–Liquid Phase Diagram of the FeSO4–MgSO4–MnSO4–H2O Quaternary Water-Salt System and Its Subsystems at 40 °C","authors":"Lin Deng, Mei Liu, Guangqiang Ma, Tingting Wu, Beilei Yan, Xuehua Mao, Hongwei Ge","doi":"10.1021/acs.jced.6c00167","DOIUrl":"https://doi.org/10.1021/acs.jced.6c00167","url":null,"abstract":"The efficient recovery of Fe, Mg, and Mn from variousore processingwastes is often hindered by complex sulfate interactions and temperature-dependentbehaviors. To address this challenge, the stable phase equilibriaof the quaternary system FeSO4–MgSO4–MnSO4–H2O and its constituent ternary subsystemswere systematically investigated at 40 °C using the isothermaldissolution method. The results reveal that the MnSO4–MgSO4–H2O and FeSO4–MgSO4–H2O systems remain simple eutectic type,facilitating straightforward separation of magnesium from iron andmanganese. In contrast, the FeSO4–MnSO4–H2O system exhibits complex behavior due to theformation of a continuous (Fe,Mn)SO4·4H2O solid solution. The quaternary phase diagram at 40 °C features4 invariant points and 6 crystallization fields. Within this framework,FeSO4·4H2O emerges as the dominant crystallinephase, providing a direct thermodynamic basis for a priority ironremoval strategy. This dominance enables the selective crystallizationof pure FeSO4·4H2O, allowing the solutionto effectively bypass the narrow (Fe,Mn)SO4·4H2O solid solution region. After iron removal, the residualsystem enables sequential recovery of pure manganese and magnesiumsalts. This work delivers essential thermodynamic data and a practicalcrystallization-based separation pathway for the efficient recoveryof metal resources from complex sulfate wastes.","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"71 8","pages":"3559–3572"},"PeriodicalIF":2.4,"publicationDate":"2026-08-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148729722","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

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Temperature-Dependent Physicochemical Properties of Di and Tri-Peptides of Glycine in Aqueous Myo-Inositol 肌醇水溶液中甘氨酸二肽和三肽的温度依赖性理化性质

IF 2.4 3区工程技术

Journal of Chemical & Engineering Data Pub Date : 2026-08-13 Epub Date: 2026-07-23 DOI: 10.1021/acs.jced.5c00852

Sakul Kharka, Chandani Sharma, Ushma Syal, Meena Sharma

{"title":"Temperature-Dependent Physicochemical Properties of Di and Tri-Peptides of Glycine in Aqueous Myo-Inositol","authors":"Sakul Kharka, Chandani Sharma, Ushma Syal, Meena Sharma","doi":"10.1021/acs.jced.5c00852","DOIUrl":"https://doi.org/10.1021/acs.jced.5c00852","url":null,"abstract":"Thepresent study investigates the temperature-dependent physicochemicalproperties of glycylglycine and glycylglycylglycine in pure waterand aqueous myo-inositol solutions of varying molal concentrations(0.05, 0.10, and 0.15 mol·kg–1) over the temperaturerange 293.15–318.15 K under a constant pressure of 101.3 kPa.Measurements of density, ultrasonic velocity, and viscosity servedas the basis for calculating a range of volumetric, acoustic, andviscometric parameters, such as apparent molar volume (Vϕ), partial molar volume at infinite dilution (Vϕ0), limiting apparent molarexpansibility (Eϕ0),apparent molar isentropic compressibility (Kϕ,s0), transfer parameters,and viscosity B-coefficients. Analysis of these thermodynamicand transport properties enabled the assessment of the dominant molecularinteractions between glycylglycine and myo-inositol, as well as betweenglycylglycylglycine and myo-inositol, in aqueous media. The collectivefindings indicate the prevalence of hydrophilic–hydrophilicinteractions, demonstrating the cooperative role of inositol in enhancingsolvation dynamics and the structuring of water molecules around thesolutes.","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"71 8","pages":"3176–3189"},"PeriodicalIF":2.4,"publicationDate":"2026-08-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148729751","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

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Preparation and Characterization of Deep Eutectic Solvents for Water-Insoluble Drugs’ Solubilization 水不溶性药物增溶用深共晶溶剂的制备与表征

IF 2.4 3区工程技术

Journal of Chemical & Engineering Data Pub Date : 2026-08-13 Epub Date: 2026-07-06 DOI: 10.1021/acs.jced.6c00107

Prathiksha Prabhakar, Anantharaj Ramalingam

{"title":"Preparation and Characterization of Deep Eutectic Solvents for Water-Insoluble Drugs’ Solubilization","authors":"Prathiksha Prabhakar, Anantharaj Ramalingam","doi":"10.1021/acs.jced.6c00107","DOIUrl":"https://doi.org/10.1021/acs.jced.6c00107","url":null,"abstract":"Deep eutectic solvents have emerged as tunable and sustainablealternatives to conventional organic solvents for pharmaceutical applications.In this work, 11 choline chloride-based DESs were prepared using sorbitol,malonic acid, xylitol, thiourea, and mixed hydrogen bond donor systemsat different molar ratios. The density and pH of all the preparedDESs were measured at different temperatures T =(298.15 to 343.15) K and pressure p = 101.305 kPa.Subsequently, the refractive indices of all the prepared DESs weremeasured at temperature T = 298.15 K and pressure p = 101.305 kPa. Further, polarized optical microscopy (POM)and contact angle were used to evaluate the microstructural behaviorand crystallinity of deep eutectic solvents and the wettability andsurface interaction of deep eutectic solvents, respectively. Hydrogen-bondformation upon mixing was investigated using FTIR spectroscopy, andTGA and DSC thermograms were used to understand the thermal stabilityand thermal behavior of all the studied DESs. Finally, the sigma profileand the sigma potential of all of the studied molecules were generatedand analyzed using quantum chemical calculations.","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"71 8","pages":"3297–3330"},"PeriodicalIF":2.4,"publicationDate":"2026-08-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148729420","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0