Journal of Chemical & Engineering Data最新文献_第4页

Systematic Determination of Distribution Constants in Deep Eutectic Solvent–Organic Solvent Biphasic Systems: A Quantitative Database for the Rational Extraction of Bioactive Compounds 深共晶溶剂-有机溶剂双相体系中分布常数的系统测定：合理提取生物活性化合物的定量数据库

IF 2.4 3区工程技术

Journal of Chemical & Engineering Data Pub Date : 2026-10-08 Epub Date: 2026-09-28 DOI: 10.1021/acs.jced.6c00497

Tatiana Bochko, Anna Samuseva, Alena Hapankova

{"title":"Systematic Determination of Distribution Constants in Deep Eutectic Solvent–Organic Solvent Biphasic Systems: A Quantitative Database for the Rational Extraction of Bioactive Compounds","authors":"Tatiana Bochko, Anna Samuseva, Alena Hapankova","doi":"10.1021/acs.jced.6c00497","DOIUrl":"https://doi.org/10.1021/acs.jced.6c00497","url":null,"abstract":"This work determines distribution constants (P) for 19 bioactive compounds (flavonoids, phenolic acids,alkaloids,and glycosides) in biphasic liquid–liquid systems. The systemscomprise a deep eutectic solvent (DES) based on choline chloride withurea, malonic acid, or L-lactic acid as one phase, and ethyl acetateor 1-octanol as the organic phase. Measurements were performed at25.0 ± 0.1 °C and ambient pressure using HPLC-UV analysis.Apparent distribution constants (logP) range fromabout −3.4 to +2.8, depending on DES composition, organic solvent,and solute hydrogen-bonding functionality. For most solutes, distributionconstants are higher in ethyl acetate/DES than in 1-octanol/DES, withdifferences from less than 1 order of magnitude to over 2 orders ofmagnitude. Notable exceptions exist; for example, chlorogenic acidpartitions less into ethyl acetate for certain DES compositions, andsinapic acid with ChCl–U gives a higher value in octanol. The P values, expressed on a molality basis, provide a quantitativethermodynamic basis for rational design of selective extraction processes,replacing empirical solvent screening with a predictive, data-drivenapproach. For quinic acid, ursolic acid, rutin, and apigenin, distributionconstants could not be determined in some systems owing to low solubilityor undetectable concentrations in one phase.","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"71 10","pages":"4364–4374"},"PeriodicalIF":2.4,"publicationDate":"2026-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149124895","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

Comment on “Solubility Behavior of Meglumine Form I in 12 Pure Solvents: Experimental Measurements, Thermodynamic Modeling, And Solvation Mechanism Analysis” 对“I型三聚氰胺在12种纯溶剂中的溶解度行为：实验测量、热力学模型和溶剂化机理分析”的评论

IF 2.4 3区工程技术

Journal of Chemical & Engineering Data Pub Date : 2026-09-10 Epub Date: 2026-08-04 DOI: 10.1021/acs.jced.6c00267

Kui Wu, Yujiang Ke, Xiaofang Li, Chaohui Che

{"title":"Comment on “Solubility Behavior of Meglumine Form I in 12 Pure Solvents: Experimental Measurements, Thermodynamic Modeling, And Solvation Mechanism Analysis”","authors":"Kui Wu, Yujiang Ke, Xiaofang Li, Chaohui Che","doi":"10.1021/acs.jced.6c00267","DOIUrl":"https://doi.org/10.1021/acs.jced.6c00267","url":null,"abstract":"Recently, Jia and his research team published an academicpapertitled “Solubility Behavior of Meglumine Form I in 12 PureSolvents: Experimental Measurements, Thermodynamic Modeling, And SolvationMechanism Analysis.” in this journal, correlating the experimentaldata with three thermodynamic models (modified Apelblat equation,λh equation, and van’t Hoff equation).However, verification indicates that the parameters of the modifiedApelblat and van’t Hoff models reported in the original paperare incorrect, leading to significant deviations between the calculatedand experimental solubility values, even order-of-magnitude differencesin some solvent systems. This commentary first verifies the errorsof the original model parameters and quantifies the deviations. Themodified Apelblat and van’t Hoff models are then refitted usingthe original experimental data, obtaining corrected parameters withaverage relative deviations (ARD) of 1.91% and 2.11%, respectively.The λh model parameters in the original workare relatively reliable and do not require refitting. Additionally,possible causes of the fitting errors in the original study are analyzed,including unspecified adoption of scaled solubility data for modelfitting and insufficient decimal places of fitting parameters. Thecorrected model parameters provided herein can offer reliable thermodynamicdata for the crystallization, formulation development, and industrialapplication of Meglumine Form I and also remind researchers to payattention to data accuracy in thermodynamic fitting studies.","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"71 9","pages":"4050–4053"},"PeriodicalIF":2.4,"publicationDate":"2026-09-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148923713","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

Classical Nucleation Theory-Based Multiscale Analysis of Strontium Nitrate Aqueous Crystallization: Thermodynamic-Kinetic Coupling Model and Nucleation Regulation 基于经典成核理论的硝酸锶水结晶多尺度分析：热力学-动力学耦合模型及成核调控

IF 2.4 3区工程技术

Journal of Chemical & Engineering Data Pub Date : 2026-09-10 Epub Date: 2026-08-07 DOI: 10.1021/acs.jced.6c00220

Zhanhua Lei, Xingwu Zou, Chunlai Yang, Qihang Zhu, Shuxuan Wang, Bo Li, Fei Shao

{"title":"Classical Nucleation Theory-Based Multiscale Analysis of Strontium Nitrate Aqueous Crystallization: Thermodynamic-Kinetic Coupling Model and Nucleation Regulation","authors":"Zhanhua Lei, Xingwu Zou, Chunlai Yang, Qihang Zhu, Shuxuan Wang, Bo Li, Fei Shao","doi":"10.1021/acs.jced.6c00220","DOIUrl":"https://doi.org/10.1021/acs.jced.6c00220","url":null,"abstract":"Thisstudy investigates the crystallization behavior of Sr(NO3)2 in aqueous solution by integrating classicalnucleation theory and the Apelblat equation. We experimentally characterizethe metastable zone width as a function of saturation temperature,cooling rate, and stirring rate. Based on classical nucleation theory,we establish a quantitative thermodynamic-kinetic coupling model thatdirectly relates the solubility temperature coefficient to metastablezone width. Phase-specific coupling models are further developed forthe low-temperature β-phase and high-temperature α-phaseregions, respectively, with high determination coefficients. Two distinctsolubility regimes are identified: β-phase solubility increasessignificantly with T0 in the low-temperature range (278.15–298.15K), while α-phase solubility growth slows in the high-temperaturerange (303.15–363.15 K), with a phase transition critical pointat 301.54 K. Fitting metastable zone width data to the classical 3Dnucleation model reveals that the nucleation rate constant A increasesand the solid–liquid interfacial energy parameter B decreaseswith rising T0, indicating enhanced nucleation drivingforce and reduced energy barriers collectively narrow the metastablezone width. These findings fill the long-standing data gap in thenucleation kinetic parameters of Sr(NO3)2 aqueouscrystallization across the peritectic transition region, and providetheoretical guidance for optimizing cooling rate and temperature stagingregulation in the directional growth of Sr(NO3)2 crystals.","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"71 9","pages":"3788–3798"},"PeriodicalIF":2.4,"publicationDate":"2026-09-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148923790","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

Fatty Acid-Based (Deep) Eutectic Solvents Thermodynamic Behavior and Thermal Properties for Low-Temperature Thermal Energy Storage 低温储热用脂肪酸基（深）共晶溶剂的热力学行为和热性能

IF 2.4 3区工程技术

Journal of Chemical & Engineering Data Pub Date : 2026-09-10 Epub Date: 2026-08-05 DOI: 10.1021/acs.jced.6c00328

Nouman Rafique, Mihkel Koel, Indrek Reile, Oliver Järvik

{"title":"Fatty Acid-Based (Deep) Eutectic Solvents Thermodynamic Behavior and Thermal Properties for Low-Temperature Thermal Energy Storage","authors":"Nouman Rafique, Mihkel Koel, Indrek Reile, Oliver Järvik","doi":"10.1021/acs.jced.6c00328","DOIUrl":"https://doi.org/10.1021/acs.jced.6c00328","url":null,"abstract":"The mismatch between heat supply and heat demand canbe resolvedby better utilization of low temperature waste heat with the helpof low-temperature thermal energy storage (TES). In this work, binarymixtures of thymol (THY) with decanoic acid (C10), undecanoic acid(C11), and dodecanoic acid (C12) were prepared across a broad compositionrange and evaluated as phase-change material (PCM) candidates. Differentialscanning calorimetry (DSC) was used to determine melting points (Tm), heat of melting (ΔHm), and short-term thermal-cycling stability, while FourierTransform Infrared (FTIR) and NMR measurements were used as supportingevidence for intermolecular interactions. Phase diagrams were constructedfrom replicate measurements and compared with ideal-liquidus referencecurves. The lowest average Tm values wereobserved near XTHY = 0.40 for THY:C10, XTHY = 0.40 for THY:C11, and within XTHY = 0.5 for THY:C12. Near-eutectic compositions wereevaluated for cycle stability. The results demonstrate retained ΔHm over 100 melt/freeze cycles. The calculatedideal-liquidus curves reproduced the overall Tm depression but they systematically overpredicted the experimental Tm, indicating modest nonideal interactions.Excess Gibbs free energy (GE) data supportfavorable heteromolecular interactions and the stabilization of eutecticcomposition and qualification of THY-fatty acid–based mixturesas deep eutectic solvents.","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"71 9","pages":"3888–3903"},"PeriodicalIF":2.4,"publicationDate":"2026-09-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148923844","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

Solubility, Diffusivity, and Phase Equilibria of Oxygen in Ionic Liquids 氧在离子液体中的溶解度、扩散率和相平衡

IF 2.4 3区工程技术

Journal of Chemical & Engineering Data Pub Date : 2026-09-10 Epub Date: 2026-08-06 DOI: 10.1021/acs.jced.6c00079

Ayo Olasupo, David R. Corbin, Mark B. Shiflett

{"title":"Solubility, Diffusivity, and Phase Equilibria of Oxygen in Ionic Liquids","authors":"Ayo Olasupo, David R. Corbin, Mark B. Shiflett","doi":"10.1021/acs.jced.6c00079","DOIUrl":"https://doi.org/10.1021/acs.jced.6c00079","url":null,"abstract":"The temperature-dependent solubility and diffusivityof oxygenwere measured in five ionic liquids (ILs) with imidazolium- and pyrrolidinium-basedcations and bis(trifluoromethylsulfonyl)imide and bis(fluorosulfonyl)imideanions. A gravimetric microbalance was used to measure the solubilityof oxygen (O2) at temperatures ranging from 283.15 to 328.15K and pressures up to 0.5 MPa. The Henry’s law constants, enthalpies,and entropies of absorption were calculated from experimentally measuredO2 solubility in ILs as a function of temperature and pressure.The solubility of O2 increased with increasing alkyl-chainlength in ILs with similar cations and anions. The ILs with the bis(trifluoromethylsulfonyl)imideanion have higher O2 solubility than the ILs with the bis(fluorosulfonyl)imideanion. The imidazolium-based IL was found to have higher O2 solubility than the pyrrolidinium-based IL. The solubility of O2 increases with a decrease in temperature and an increasein pressure. The diffusion coefficient of O2 increaseswith an increase in temperature and pressure. This study providessolubility and diffusivity data for O2 in ILs, applicablefor energy storage, especially for lithium–air batteries andother applications.","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"71 9","pages":"3924–3933"},"PeriodicalIF":2.4,"publicationDate":"2026-09-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148923853","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

Measurement and Correlation of Solubility of Quizalofop-p-ethyl in Four Binary Mixtures Containing Water from 278.15 to 318.15 K 在278.15 ~ 318.15 K的四种二元水混合物中quizalofop -对乙基的溶解度测定及其相关性

IF 2.4 3区工程技术

Journal of Chemical & Engineering Data Pub Date : 2026-09-10 Epub Date: 2026-08-17 DOI: 10.1021/acs.jced.6c00204

Shaochuan Bai, Xiangyu Sun, Panpan Li, Xinhui Chen, Qi Yu, Xia Jiang, Guan Wang

{"title":"Measurement and Correlation of Solubility of Quizalofop-p-ethyl in Four Binary Mixtures Containing Water from 278.15 to 318.15 K","authors":"Shaochuan Bai, Xiangyu Sun, Panpan Li, Xinhui Chen, Qi Yu, Xia Jiang, Guan Wang","doi":"10.1021/acs.jced.6c00204","DOIUrl":"https://doi.org/10.1021/acs.jced.6c00204","url":null,"abstract":"Thesolubility of quizalofop-p-ethyl in four aqueousbinary mixtures, namely n-propanol–water,isopropanol–water, N,N-dimethylformamide(DMF)–water, and N,N-dimethylacetamide(DMAC)–water, was determined using the laser monitoring methodover the temperature range from 278.15 to 318.15 K. In all systems,the solubility increased monotonically with increasing temperatureand organic cosolvent mole fraction. The experimental solubility datawere correlated using the modified Apelblat, the Van’t Hoff–Jouyban–Acreemodel, and the Wilson models. The correlation performance of thesemodels was evaluated using the relative average deviation (RAD) androot-mean-square deviation (RMSD). Based on the deviation metrics,the modified Apelblat model exhibited the lowest fitting deviationsfor the present QPE solubility data set under the current fittingframework, with calculated values in good agreement with the experimentaldata. In addition, Hansen solubility parameter (HSP) analysis wasused to qualitatively evaluate QPE–solvent compatibility, suggestingthat the observed solvent effects are related to the combined matchingof dispersion, polar, and hydrogen-bonding parameters.","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"71 9","pages":"3998–4011"},"PeriodicalIF":2.4,"publicationDate":"2026-09-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148923723","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

Phase Equilibrium and Thermophysical Properties of 2-Phenylethanol Aqueous Mixtures with Organic Solvents 2-苯乙醇与有机溶剂水溶液的相平衡和热物理性质

IF 2.4 3区工程技术

Journal of Chemical & Engineering Data Pub Date : 2026-09-10 Epub Date: 2026-08-13 DOI: 10.1021/acs.jced.6c00303

Vanesa Llanes-Hernández, Maximilian Fleckenstein, Sebastián Ormazábal-Latorre, Héctor Quinteros-Lama, Roberto I. Canales, Nicolás F. Gajardo-Parra

{"title":"Phase Equilibrium and Thermophysical Properties of 2-Phenylethanol Aqueous Mixtures with Organic Solvents","authors":"Vanesa Llanes-Hernández, Maximilian Fleckenstein, Sebastián Ormazábal-Latorre, Héctor Quinteros-Lama, Roberto I. Canales, Nicolás F. Gajardo-Parra","doi":"10.1021/acs.jced.6c00303","DOIUrl":"https://doi.org/10.1021/acs.jced.6c00303","url":null,"abstract":"2-Phenylethanol is a yeast-derived aroma compound whoseEhrlich-pathwayproduction is limited by product inhibition above 2–3 g·L–1, making in situ liquid–liquid extraction essential.This work reports ternary liquid–liquid equilibrium data forwater +2-phenylethanol + solvent systems with 1-hexanol, 1-octanol,2-methyl-2-butanol, 2-methyl-3-buten-2-ol, 2-octanone, and methylisobutyl ketone at 303.15 K and 101.3 kPa, together with isobaricvapor–liquid equilibrium data for the corresponding binary2-phenylethanol + solvent mixtures at 101.3 kPa. Density and dynamicviscosity are also reported for binary mixtures with 1-hexanol, 1-octanol,and 2-methyl-2-butanol from 293.15 to 333.15 K. The two-phase regionnarrows in the order ketones > long-chain primary alcohols >short-chainbranched alcohols, whereas water coextraction follows the oppositetrend, identifying ketones as the most suitable solvents. PC-SAFTcombined with entropy scaling describes density, excess molar volume,viscosity, vapor–liquid equilibrium, and liquid–liquidequilibrium within one framework. Predictive calculations capturemost properties, while one temperature-independent binary interactionparameter per system correlates equilibrium properties.","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"71 9","pages":"3965–3976"},"PeriodicalIF":2.4,"publicationDate":"2026-09-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148923783","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

Monitoring the Antiradical Efficacy and Acoustic Behavior of Quercetin in Choline-Tryptophan Ionic Liquid Medium at Different Temperatures 槲皮素在胆碱-色氨酸离子液体中不同温度下的抗自由基效果和声学行为监测

IF 2.4 3区工程技术

Journal of Chemical & Engineering Data Pub Date : 2026-09-10 Epub Date: 2026-08-25 DOI: 10.1021/acs.jced.6c00280

Vibek Srichandan, Sanghamitra Pradhan, Malabika Talukdar

{"title":"Monitoring the Antiradical Efficacy and Acoustic Behavior of Quercetin in Choline-Tryptophan Ionic Liquid Medium at Different Temperatures","authors":"Vibek Srichandan, Sanghamitra Pradhan, Malabika Talukdar","doi":"10.1021/acs.jced.6c00280","DOIUrl":"https://doi.org/10.1021/acs.jced.6c00280","url":null,"abstract":"Quercetinis a naturally occurring flavonoid that haspotent antioxidantproperties, however, its practical application which is limited bypoor aqueous solubility and low bioavailability. Amino acid basedionic liquids (AAILs) have emerged as promising biocompatible solventscapable of enhancing the solubility and stability of bioactive compounds,yet the molecular interactions governing quercetin behavior in suchmedia remain poorly understood. This study analyses the acoustic behaviorof quercetin in aqueous choline-tryptophan ionic liquid ([Ch][Trp]IL) medium over a temperature range of 293.15–313.15 K. Itprovides insights into solute–solvent interactions, solvationbehavior and structural arrangement in aqueous AAILs. Concentrationled to higher ultrasonic velocity, but reduced isentropic compressibility.The proposed molecular interactions are consistent with the observedacoustic behavior and previous spectroscopic and volumetric studiesof same system. Antioxidant activity was evaluated separately understandard ethanolic DPPH assay conditions using EC50, TEC50 and the antiradical efficiency parameter (AE). These analysesshow that IL induces favorable molecular arrangement while preservingquercetin’s radical scavenging activity. The combined acousticand antioxidant investigations provide valuable insight into the molecularorganization of flavonoids in AAILs and highlight the potential of[Ch][Trp] as a promising biocompatible medium for flavonoid formulationand delivery.","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"71 9","pages":"3832–3844"},"PeriodicalIF":2.4,"publicationDate":"2026-09-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148923927","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

Quantifying Impurities in CO2 Streams: Measurements of TEG and MeOH Solubility under Pipeline Conditions 量化二氧化碳流中的杂质：管道条件下TEG和MeOH溶解度的测量

IF 2.4 3区工程技术

Journal of Chemical & Engineering Data Pub Date : 2026-09-10 Epub Date: 2026-08-20 DOI: 10.1021/acs.jced.6c00077

Timur Zhainakov, Paula S.C. Farias, Eduardo Luna-Ortiz, Jonas Wegner, Xuemeng Li, Jan C. Namyslo

{"title":"Quantifying Impurities in CO2 Streams: Measurements of TEG and MeOH Solubility under Pipeline Conditions","authors":"Timur Zhainakov, Paula S.C. Farias, Eduardo Luna-Ortiz, Jonas Wegner, Xuemeng Li, Jan C. Namyslo","doi":"10.1021/acs.jced.6c00077","DOIUrl":"https://doi.org/10.1021/acs.jced.6c00077","url":null,"abstract":"Traceimpurities in CO2 streams are of particular concernfor CO2 transportation and storage applications, wherecompounds used in gas processing may be cotransported unintentionally.Among these, triethylene glycol (TEG) and methanol (MeOH) are especiallyrelevant due to their widespread use in gas dehydration and hydrateinhibition. Reliable solubility data for these species in compressedCO2 remain limited and, in some cases, are inconsistentin the literature. In this work, new experimental solubility datafor TEG and MeOH in CO2 are reported over temperature andpressure ranges relevant to industrial operation. TEG solubility wasmeasured at temperatures from 30 to 90 °C and pressures up to111 bar, yielding concentrations between 0.31 and 142.5 ppm, whileMeOH solubility was measured from 20 to 55 °C and pressures upto 84 bar, with a result of 0.64 to 3.52 mol %. Measurements wereperformed using a novel approach that utilizes a high-pressure saturationunit for gas–liquid equilibration, combined with quantitative 1H NMR spectroscopy for effluent composition analysis. Theexperimental results are compared with available literature data andwith predictions from the Cubic-Plus-Association (CPA) and Peng–Robinson(PR and PR78) equations of state. The comparison reveals systematicdeviations between models and experiments, a tuned CPA model providesthe best overall performance with an AARD of 24.9%, highlighting theneed for improved thermodynamic models of CO2-TEG and CO2-MeOH systems.","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"71 9","pages":"3934–3947"},"PeriodicalIF":2.4,"publicationDate":"2026-09-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148923743","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

Solid–Liquid Phase Equilibria of Quaternary System K2B4O7–KHCO3–Na2B4O7–NaHCO3–H2O at 288.2 and 308.2 K K2B4O7-KHCO3-Na2B4O7-NaHCO3-H2O系在288.2和308.2 K下的固液平衡

IF 2.4 3区工程技术

Journal of Chemical & Engineering Data Pub Date : 2026-09-10 Epub Date: 2026-08-06 DOI: 10.1021/acs.jced.6c00249

Fan Liao, Shi-Hua Sang, Yan Huang, Chun-Tao Hu, Ling-Xuan Wang

{"title":"Solid–Liquid Phase Equilibria of Quaternary System K2B4O7–KHCO3–Na2B4O7–NaHCO3–H2O at 288.2 and 308.2 K","authors":"Fan Liao, Shi-Hua Sang, Yan Huang, Chun-Tao Hu, Ling-Xuan Wang","doi":"10.1021/acs.jced.6c00249","DOIUrl":"https://doi.org/10.1021/acs.jced.6c00249","url":null,"abstract":"Investigation of the relevant multitemperature phaseequilibriumdata is of guiding importance for the recycling and utilization ofrich-boron brine resources. In this work, the solid–liquidphase equilibria of the K2B4O7–KHCO3–Na2B4O7–NaHCO3–H2O quaternary system at 288.2 and 308.2K were investigated using the isothermal dissolution equilibrium method.The results demonstrate that the system exhibits Type I hydrate behaviorat both temperatures, with each phase diagram featuring two invariantpoints. The equilibrium solid phases at invariant points are NaHCO3 + Na2B4O7·10H2O + K2B4O7·4H2Oand NaHCO3 + K2B4O7·4H2O + KHCO3, respectively. Each phase diagram consistsof five solubility equilibrium curves and four crystallization regionscorresponding to the solid phases: Na2B4O7·10H2O, K2B4O7·4H2O, KHCO3, and NaHCO3. Comparativeanalysis of the crystallization regions at the two temperatures revealsthat the region for Na2B4O7·10H2O shrinks with increasing temperature, whereas those for NaHCO3, K2B4O7·4H2O, and KHCO3 expand. At both temperatures, the crystallizationregion of Na2B4O7·10H2O is the largest, followed by that of NaHCO3, while KHCO3 has the smallest region. This trend indicates that KHCO3 has the highest solubility and is therefore the most difficultto crystallize and separate from the saturated solution.","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"71 9","pages":"4012–4021"},"PeriodicalIF":2.4,"publicationDate":"2026-09-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148923852","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