Journal of Chemical & Engineering Data最新文献_第5页

Experimental Evaluation and Thermodynamic Modeling of Aqueous Two-Phase Systems Based on Poly(ethylene oxide-ran-propylene oxide (50:50)) as an Environmentally Friendly Thermosensitive Copolymer and Phosphate Salts 基于环境友好型热敏共聚物聚环氧乙烷-环氧丙烷（50:50）和磷酸盐的水两相体系的实验评价和热力学建模

IF 2.4 3区工程技术

Journal of Chemical & Engineering Data Pub Date : 2026-09-10 Epub Date: 2026-06-22 DOI: 10.1021/acs.jced.6c00243

Shadi Azar, Alireza Habibi, Farshad Rahimpour

{"title":"Experimental Evaluation and Thermodynamic Modeling of Aqueous Two-Phase Systems Based on Poly(ethylene oxide-ran-propylene oxide (50:50)) as an Environmentally Friendly Thermosensitive Copolymer and Phosphate Salts","authors":"Shadi Azar, Alireza Habibi, Farshad Rahimpour","doi":"10.1021/acs.jced.6c00243","DOIUrl":"https://doi.org/10.1021/acs.jced.6c00243","url":null,"abstract":"Thisstudy focuses on the equilibrium behaviors of a novel aqueoustwo-phase system (ATPS) based on phosphate salts and poly(EO50-ran-PO50) at various pH (6, 7, and 8)and temperatures (25, 35, and 40 °C). The main distinction ofthis system is the application of a thermosensitive copolymer witha mild critical solution temperature (48 °C), which allows easyrecovery of polymers from temperature-sensitive materials for purificationpurposes. The phase diagrams for the ATPS indicated that the increasein pH and temperature resulted in expansion of the biphasic region.The Merchuk equation was applied for description of the experimentaldata, and the length and slope of the tie lines in different conditionswere calculated. The experimental tie-line compositions were correlatedto the Othmer–Tobias and Bancroft equations, and the relevantparameters of the models were determined. The experimental data ofthis system were best described by the activity coefficients of thenonrandom two liquid (NRTL) model. Also, a simplified model of theNRTL equation based on the use of mass fraction has been proposedin the present study, in which the mean deviation of 1.40% betweenexperimental and calculated mass fractions revealed its predictionpower from the equilibrium compositions of the system.","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"71 9","pages":"3956–3964"},"PeriodicalIF":2.4,"publicationDate":"2026-09-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148923924","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

Reply to the “Comment on ‘Solubility Behavior of Meglumine Form I in 12 Pure Solvents: Experimental Measurements, Thermodynamic Modeling, And Solvation Mechanism Analysis’” 对“I型甲氨胺在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”的批复

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.6c00369

Lihong Jia, Zixiang He, Hanchang Huang, Xing Fan, Yuan Sui, Yongping Han

引用次数: 0

Commentary on “Solubility Determination and Correlation of 2-Methyl-6-propionylnaphthalene in Pure Solvents and Binary Solvent Systems (Water + Methanol/Ethanol/n-Propanol) from 278.15 to 318.15 K” 《2-甲基-6-丙酰基萘在278.15 ~ 318.15 K纯溶剂和二元溶剂体系（水+甲醇/乙醇/正丙醇）中的溶解度测定及相关性》评论

IF 2.4 3区工程技术

Journal of Chemical & Engineering Data Pub Date : 2026-09-10 Epub Date: 2026-08-29 DOI: 10.1021/acs.jced.6c00314

Fogen Chen, Yunlan Zhu, Jingwen Meng, Yujiang Ke, Kui Wu

{"title":"Commentary on “Solubility Determination and Correlation of 2-Methyl-6-propionylnaphthalene in Pure Solvents and Binary Solvent Systems (Water + Methanol/Ethanol/n-Propanol) from 278.15 to 318.15 K”","authors":"Fogen Chen, Yunlan Zhu, Jingwen Meng, Yujiang Ke, Kui Wu","doi":"10.1021/acs.jced.6c00314","DOIUrl":"https://doi.org/10.1021/acs.jced.6c00314","url":null,"abstract":"In a recent article titled “Solubility DeterminationandCorrelation of 2-Methyl-6-propionylnaphthalene in Pure Solventsand Binary Solvent Systems (Water + Methanol/Ethanol/n-Propanol) from 278.15 to 318.15 K” published in thisjournal, Li et al. reported the solubility behavior of 2-methyl-6-propionylnaphthalene(2,6-MPN) in ten pure solvents and three binary mixed solvents, andconducted a correlation analysis between the experimental solubilitydata and seven thermodynamic models. While their experimental workprovides fundamental data for the crystallization of 2,6-MPN, significantinaccuracies are identified in the fitting parameters of the modifiedApelblat equation and the λh equation. Theseinaccurate parameters lead to substantial deviations between calculatedand experimental solubilities. This work systematically verifies theerrors, analyzes their origins, and provides optimization suggestions,aiming to ensure the reliability of thermodynamic data for 2,6-MPNcrystallization process design and solvent selection.","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"71 9","pages":"4056–4061"},"PeriodicalIF":2.4,"publicationDate":"2026-09-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148915794","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 Equilibrium in the Ternary Systems C6H5B(OH)2 + KCl/RbCl/CsCl + H2O at 298.15 and 348.15 K 298.15 K和348.15 K下C6H5B(OH)2 + KCl/RbCl/CsCl + H2O三元体系固液平衡

IF 2.4 3区工程技术

Journal of Chemical & Engineering Data Pub Date : 2026-09-10 Epub Date: 2026-08-21 DOI: 10.1021/acs.jced.6c00361

Ziyu Zhuang, Manman Zhang, Dongdong Li, Dandan Gao, Haitao Feng

{"title":"Solid–Liquid Phase Equilibrium in the Ternary Systems C6H5B(OH)2 + KCl/RbCl/CsCl + H2O at 298.15 and 348.15 K","authors":"Ziyu Zhuang, Manman Zhang, Dongdong Li, Dandan Gao, Haitao Feng","doi":"10.1021/acs.jced.6c00361","DOIUrl":"https://doi.org/10.1021/acs.jced.6c00361","url":null,"abstract":"The phase equilibria of ternary systemsphenylboronicacid (C6H5B(OH)2) + KCl/RbCl/CsCl+ H2O were investigated at 298.15 and 348.15 K usinga directisothermal dissolution equilibrium method with mannitol-NaOH titration.Solid phases were characterized by Schreinemakers’ wet method,XRD, Raman, IR, and TG-DSC. No new adducts were detected, in contrastto the stable adduct 2H3BO3·3CsCl formedin the H3BO3 + CsCl + H2O system.All three systems are of the simple eutectic type, with two solubilitybranches and one invariant point. C6H5B(OH)2 exerts a weak salting-in effect on the chlorides, independentof temperature. Conversely, the chlorides salt out C6H5B(OH)2 following the order CsCl < RbCl < KCl,an effect that increases with temperature. This pattern differs fromH3BO3-alkali chloride systems (salting-in) butresembles H3BO3-alkaline earth chloride systems(salting-out). The salting-out is attributed to salt-induced reductionof water activity, which disrupts the hydration layer of the soluteand promotes its dehydration condensation to triphenyl boroxine. Froma crystallographic viewpoint, the layered structure of H3BO3 provides suitable sites for Cs+, whereasthe three-dimensional network of C6H5B(OH)2 does not. This structural insight suggests that the layered1,4- and 1,3-benzenediboronic acids may form similar adducts withCs+, warranting further investigation.","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"71 9","pages":"3749–3760"},"PeriodicalIF":2.4,"publicationDate":"2026-09-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148923693","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

Thermodynamic Properties and Phase Equilibria of the LiCl–KCl–CH3OH–H2O Mixed Solvent System at 308.2 K LiCl-KCl-CH3OH-H2O混合溶剂体系在308.2 K下的热力学性质和相平衡

IF 2.4 3区工程技术

Journal of Chemical & Engineering Data Pub Date : 2026-09-10 Epub Date: 2026-08-11 DOI: 10.1021/acs.jced.6c00285

Shi-Hua Sang, Qing-Shuang Wang, Kuang-Yi Zhu, Rui-Zhi Cui, Yan Huang

{"title":"Thermodynamic Properties and Phase Equilibria of the LiCl–KCl–CH3OH–H2O Mixed Solvent System at 308.2 K","authors":"Shi-Hua Sang, Qing-Shuang Wang, Kuang-Yi Zhu, Rui-Zhi Cui, Yan Huang","doi":"10.1021/acs.jced.6c00285","DOIUrl":"https://doi.org/10.1021/acs.jced.6c00285","url":null,"abstract":"Targeting the characteristic of brines from the oil-gasfield beingrich in lithium and potassium, this study investigates the thermodynamicactivity coefficients and phase equilibria of the LiCl–KCl–CH3OH–H2O mixed solvent system at 308.2 K usingthe cell potential method and isothermal dissolution equilibrium method,respectively. Based on the measured cell potentials of the mixed solvent,the mean activity coefficients of KCl under different ionic strengths(I = 0.05–2.00 mol·kg–1) and LiCl ionic strength fractions (yb = 0, 0.2, 0.4, 0.6, 0.8) are calculated via the Nernst equation.The Pitzer single-salt parameters (β(0), β(1), CΦ) of LiCl and mixedion interaction parameters (θK,Li and ψK,Li,Cl) in the mixed solvent are fitted by multiple linearregression. Using the fitted Pitzer model parameters, the mean activitycoefficient of LiCl, water activity, excess Gibbs free energy, andosmotic coefficient in the mixed solvent are calculated. Additionally,the phase equilibria of the LiCl–KCl–CH3OH–H2O mixed solvent system are measured. The phase diagram containsone invariant point, two univariant solubility curves, and two crystallineregions (KCl and LiCl·H2O). The solubility modelingresults based on the Pitzer model are in good agreement with the experimentalvalues. The research findings provide theoretical support for theseparation of lithium and potassium resources from brines using mixedsolvent phase equilibrium.","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"71 9","pages":"3856–3866"},"PeriodicalIF":2.4,"publicationDate":"2026-09-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148923722","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

Dodecane and n-Alkylbenzene Binary Mixtures: Densities, Speeds of Sound, and Viscosities within the Range of 288.15 to 333.15 K and at 0.1 MPa 十二烷和正烷基苯二元混合物：密度，声速和粘度范围在288.15至333.15 K和0.1 MPa

IF 2.4 3区工程技术

Journal of Chemical & Engineering Data Pub Date : 2026-09-10 Epub Date: 2026-08-11 DOI: 10.1021/acs.jced.6c00275

Dianne J. Luning Prak, Jim S. Cowart

{"title":"Dodecane and n-Alkylbenzene Binary Mixtures: Densities, Speeds of Sound, and Viscosities within the Range of 288.15 to 333.15 K and at 0.1 MPa","authors":"Dianne J. Luning Prak, Jim S. Cowart","doi":"10.1021/acs.jced.6c00275","DOIUrl":"https://doi.org/10.1021/acs.jced.6c00275","url":null,"abstract":"Physicalprocesses and properties are important for modeling combustionbehavior and designing surrogate mixtures to model real fuels. Thiswork reports densities, speeds of sound, and viscosities of mixturesof dodecane with n-alkylbenzenes, which can aid inthese modeling and design efforts. These properties increased withdecreasing temperature and increasing amounts of the component withthe higher property value, except for n-octylbenzene’sviscosities and ethylbenzene’s and n-propylbenzene’sspeeds of sound, where a mixture had the lowest value. Some mixtureviscosities and densities fell within fuel specifications, and theirrange values for bulk moduli are large enough to possibly exhibitdifferences in injection behavior in an engine. Increasing the sizeof n-alkylbenzene caused the VmE’s and KsE’s to decrease,the cE’s to increase, and the Δη’sto decline to a minimum before increasing again. The minimum was foundin a mixture with n-hexylbenzene. VmE were successfully modeled using the Prigogine–Flory–Patterson(PFP) Model, which showed a positive interactional term for all mixtures(indicating weaker interactions in the mixtures than for pure components),demonstrating the differences in structure, which decreased with n-alkylbenzene size. Negative free volume and pressure termswere found for larger n-alkylbenzenes and produced overall negative VmE’svalues.","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"71 9","pages":"3815–3831"},"PeriodicalIF":2.4,"publicationDate":"2026-09-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148923732","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

Experimental and Modeling of Densities, Viscosities, Refractive Indices, and Solubilities of MCl+PEG 4000+H2O (M = Li, Na, K) and MgCl2+PEG 4000+H2O Systems at 298.15 K 298.15 K下MCl+PEG 4000+H2O （M = Li, Na， K）和MgCl2+PEG 4000+H2O体系密度、粘度、折射率和溶解度的实验和模拟

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.5c00747

Jorge A. Lovera, Aldo P. Padilla, Wilson Alavia, Teófilo A. Graber

{"title":"Experimental and Modeling of Densities, Viscosities, Refractive Indices, and Solubilities of MCl+PEG 4000+H2O (M = Li, Na, K) and MgCl2+PEG 4000+H2O Systems at 298.15 K","authors":"Jorge A. Lovera, Aldo P. Padilla, Wilson Alavia, Teófilo A. Graber","doi":"10.1021/acs.jced.5c00747","DOIUrl":"https://doi.org/10.1021/acs.jced.5c00747","url":null,"abstract":"In this study, densities, viscosities, and refractiveindexes ofunsaturated ternary systems MCl+PEG 4000+H2O (M = Li, Na,K) and MgCl2+PEG 4000+H2O were measured at 298.15K. Additionally, for the latter system, solubility was measured atthe same temperature. The Pitzer model was successfully used to fitthe experimental data obtained for transport properties and solubilities,except for the viscosities of systems containing NaCl and KCl, whichwere best represented by Othmer’s rule. The refractive indiceswere well fitted to the model of Wang et al. Both density and refractiveindex increase progressively with increasing LiCl and PEG 4000 concentrations,while viscosity increases exponentially. The solubility decreaseswith increasing PEG 4000 concentration, following a trend similarto the common-ion effect. The polymer was considered a neutral speciesin the Pitzer model. Analysis of the solubility of the MgCl2+PEG 4000+H2O system and solubility values reported inthe literature for the MCl+PEG 4000+H2O systems at 298.15K indicates that, in an extractive crystallization process using PEG4000, LiCl would remain in solution, while NaCl, KCl, and MgCl2 would crystallize. These results are useful in the designand simulation of brine processing and alternative separation processesfor lithium extraction.","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"71 9","pages":"3761–3776"},"PeriodicalIF":2.4,"publicationDate":"2026-09-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148923794","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

Liquid–Liquid Equilibrium for Ternary Mixtures of Isobutyl Acetate + Isobutanol + Ethylene Glycol/Ethanolamine/Diethanolamine at 298.15 and 308.15 K 298.15和308.15 K下醋酸异丁酯+异丁醇+乙二醇/乙醇胺/二乙醇胺三元混合物的液-液平衡

IF 2.4 3区工程技术

Journal of Chemical & Engineering Data Pub Date : 2026-09-10 Epub Date: 2026-08-26 DOI: 10.1021/acs.jced.6c00315

Hui Yang, Yujuan Li, Lingling Sun, Dongqing Zhang, Hao Chen, Jun Gao, Dongmei Xu

{"title":"Liquid–Liquid Equilibrium for Ternary Mixtures of Isobutyl Acetate + Isobutanol + Ethylene Glycol/Ethanolamine/Diethanolamine at 298.15 and 308.15 K","authors":"Hui Yang, Yujuan Li, Lingling Sun, Dongqing Zhang, Hao Chen, Jun Gao, Dongmei Xu","doi":"10.1021/acs.jced.6c00315","DOIUrl":"https://doi.org/10.1021/acs.jced.6c00315","url":null,"abstract":"Isobutyl acetate (IBAC) and isobutanol (IBA) are benignsolventsthat are commonly applied in the electronics and pharmaceutical industries.During the application process, a mixture of IBAC and IBA is usuallygenerated. Since the binary system of IBAC and IBA exhibits minimum-boilingazeotropic behavior, it is challenging to recover the solvents bygeneral distillation technology. In this study, three solvents─ethyleneglycol, ethanolamine, and diethanolamine─were chosen as extractionagents to separate the mixture of IBAC and IBA. The liquid–liquidequilibrium (LLE) data for the mixtures (IBAC + IBA + ethylene glycol/ethanolamine/diethanolamine)were measured at 298.15 and 308.15 K. The extraction performance ofthe agents was assessed on the basis of selectivity and partitionratio. The results revealed that ethanolamine exhibited a superiorcapability for extracting IBA. The tie-line data were correlated byemploying the NRTL thermodynamic model, with an RMSD lower than 0.01. Additionally, a topological analysis substantiatedthe reliability and consistency of the regressed model parameters.To explore the extraction mechanism, the molecular interactions wereanalyzed by quantum chemical calculations, offering a reference forselecting solvents for separating the azeotrope.","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"71 9","pages":"3977–3986"},"PeriodicalIF":2.4,"publicationDate":"2026-09-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148923829","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

Tetradecane and n-Alkylbenzene Binary Mixtures: Densities, Speeds of Sound, and Viscosities within the Range of 288.15 and 333.15 K and at 0.1 MPa 十四烷和正烷基苯二元混合物：密度、声速和粘度在288.15和333.15 K范围内和0.1 MPa

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.6c00244

Dianne J. Luning Prak, Jim S. Cowart

{"title":"Tetradecane and n-Alkylbenzene Binary Mixtures: Densities, Speeds of Sound, and Viscosities within the Range of 288.15 and 333.15 K and at 0.1 MPa","authors":"Dianne J. Luning Prak, Jim S. Cowart","doi":"10.1021/acs.jced.6c00244","DOIUrl":"https://doi.org/10.1021/acs.jced.6c00244","url":null,"abstract":"Surrogate fuel mixture design and combustion processmodeling areenhanced with knowledge of the physical properties of mixtures offuel components. The current study reports densities, speeds of sound,and viscosities of mixtures of tetradecane with n-alkylbenzenes. In general, densities, speeds of sound, and viscositiesdecreased with increasing temperature and increasing amounts of thecomponent with the lower property value, except for ethylbenzene’sand n-propylbenzene’s speeds of sound wheremixtures had the lowest values. Some mixture densities fell withinthe military diesel fuel specification. The range of mixture bulkmoduli suggests that their injection behavior in an engine may beaffected. Mixture excess molar volumes (VmE’s) and excess isentropic compressibilities (κsE’s)decreased and excess speeds of sound (cE’s) increased with an increase in n-alkylbenzenesize. A positive linear relationship was found in the relationshipbetween the κsE’s and VmE’sof equimolar mixtures of tetradecane and n-alkylbenzenes,which shows the impact of molar packing and volume changes on compressibility.These results will aid those designing surrogate fuel mixtures andmodeling engine combustion processes.","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"71 9","pages":"3799–3814"},"PeriodicalIF":2.4,"publicationDate":"2026-09-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148923831","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

Experimental Measurement and Thermodynamic Modeling of Isobaric Specific Heat Capacity for Supercritical CO2/Propane Mixtures 超临界CO2/丙烷混合物等压比热容的实验测量和热力学模型

IF 2.4 3区工程技术

Journal of Chemical & Engineering Data Pub Date : 2026-09-10 Epub Date: 2026-08-21 DOI: 10.1021/acs.jced.6c00284

Jiali Guo, Kun Hou, Ningze Han, Xiangyang Liu, Maogang He

{"title":"Experimental Measurement and Thermodynamic Modeling of Isobaric Specific Heat Capacity for Supercritical CO2/Propane Mixtures","authors":"Jiali Guo, Kun Hou, Ningze Han, Xiangyang Liu, Maogang He","doi":"10.1021/acs.jced.6c00284","DOIUrl":"https://doi.org/10.1021/acs.jced.6c00284","url":null,"abstract":"Adjusting the critical point of CO2 by addingpropane is an effective method to enhance the performance of the supercriticalCO2 Brayton cycle under high-temperature conditions. Thisstudy measured the isobaric specific heat capacity of CO2, propane, and their mixtures within the temperature range of 323–473K and pressure range of 8–12 MPa using a flow calorimeter.We optimized the parameters of the GERG-2008 model for the CO2/propane mixture system. Results indicate that the isobaricspecific heat capacity of CO2 and propane, as well as theirmixtures, exhibits sensitivity to temperature and pressure variationsin the pseudocritical region, with the sensitivity becoming increasinglygradual when moving away from this region. The isobaric specific heatcapacity of the mixture increases with rising propane content. Theaverage absolute relative deviation (AARD) between experimental valuesand GERG-2008 model calculations for pure CO2, propane,and mixtures was 0.79%, 0.86%, and 1.25%, respectively. The GERG-2008model, optimized using literature and experimental data, significantlyimproved the calculation accuracy of isobaric specific heat capacityfor CO2/propane mixtures, reducing the AARD to 0.93%.","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"71 9","pages":"3845–3855"},"PeriodicalIF":2.4,"publicationDate":"2026-09-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148915845","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