Journal of Chemical & Engineering Data最新文献

Solubility Measurements and Correlation of Quetiapine Fumarate in 12 Individual Solvents and Tetrahydrofuran–Water from 283.15 to 323.15 K 富马酸喹硫平在283.15 ~ 323.15 K范围内12种溶剂和四氢呋喃-水中的溶解度测定及相关性

IF 2 3区工程技术

Journal of Chemical & Engineering Data Pub Date : 2025-04-29 DOI: 10.1021/acs.jced.5c0010310.1021/acs.jced.5c00103

Wenfeng Huang, Yufeng Wei, Xiaocong Liu, Ruonan Li, Qiuxiang Yin* and Lihong Jia*,

{"title":"Solubility Measurements and Correlation of Quetiapine Fumarate in 12 Individual Solvents and Tetrahydrofuran–Water from 283.15 to 323.15 K","authors":"Wenfeng Huang, Yufeng Wei, Xiaocong Liu, Ruonan Li, Qiuxiang Yin* and Lihong Jia*, ","doi":"10.1021/acs.jced.5c0010310.1021/acs.jced.5c00103","DOIUrl":"https://doi.org/10.1021/acs.jced.5c00103https://doi.org/10.1021/acs.jced.5c00103","url":null,"abstract":"The equilibrium solubility of quetiapine fumarate was determined in twelve individual solvents and one binary solvent mixture by the gravimetric method at atmospheric pressure over a temperature range of 283.15–323.15 K. The results showed that the solubility increases with increasing temperature in all selected solvents. The solubility order is tetrahydrofuran–water (mole fraction of tetrahydrofuran 0.8083) > tetrahydrofuran > n-propanol > dichloromethane > butanone > methyl isobutyl ketone > xylenes > ethyl formate > tert-butyl methyl ether > isopropyl acetate > toluene > hexane ≈ heptane. The modified Apelblat model, λh model, nonrandom two-liquid model, and van’t Hoff–Jouyban–Acree model were employed to correlate the experimental solubility. The four models provided satisfactory fits, as confirmed by the average relative deviation and the root-mean-square deviation. The modified Apelblat model showed the best performance among them. The accurate solubility data are essential for the design and optimization of the crystallization process of QF.","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"70 5","pages":"2155–2164 2155–2164"},"PeriodicalIF":2.0,"publicationDate":"2025-04-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143917184","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

Volumetric and Compressibility Studies of Antimycobacterial Drug in Aqueous and Aqueous d-Glucose Solutions at Various Temperatures 不同温度下抗真菌药物在水和葡萄糖水溶液中的体积和压缩性研究

IF 2 3区工程技术

Journal of Chemical & Engineering Data Pub Date : 2025-04-28 DOI: 10.1021/acs.jced.4c0074210.1021/acs.jced.4c00742

Vandana S. Shende, Anuja Jain, Mahesh B and Sangesh P. Zodape*,

{"title":"Volumetric and Compressibility Studies of Antimycobacterial Drug in Aqueous and Aqueous d-Glucose Solutions at Various Temperatures","authors":"Vandana S. Shende, Anuja Jain, Mahesh B and Sangesh P. Zodape*, ","doi":"10.1021/acs.jced.4c0074210.1021/acs.jced.4c00742","DOIUrl":"https://doi.org/10.1021/acs.jced.4c00742https://doi.org/10.1021/acs.jced.4c00742","url":null,"abstract":"The experimental density (ρ) and speed of sound (c) data for the antimycobacterial drug ethambutol dihydrochloride (ETB·2HCl) in aqueous solution and aqueous d-glucose solutions containing fixed concentrations (0.06 and 0.1 mol·kg–1) across the concentration range 0.01 to 0.15 mol·kg–1 at different temperatures (293.15, 298.15, 303.15, 308.15, and 313.15 K) are reported. The experimental ρ and c data were used to compute different volumetric and compressibility parameters, including the apparent molar volume of solute (VΦ), limiting apparent molar volume of solute (VΦ0), limiting apparent molar expansivity of solute (EΦ0), thermal expansion coefficient (α), isentropic compressibility of solution (κs), apparent molar isentropic compression of solute (Ks,Φ), limiting apparent molar isentropic compression of solute (Ks,Φ0), and hydration number (nk). Additionally, the partial molar volume of transfer (ΔtrVΦ0) and partial molar isentropic compression of transfer (ΔtrKΦ0) parameters for the considered drug from water to aqueous d-glucose solutions were estimated. The results are interpreted in terms of molecular interactions in the studied systems.","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"70 5","pages":"1918–1929 1918–1929"},"PeriodicalIF":2.0,"publicationDate":"2025-04-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143916971","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

Density, Viscosity, and Electrical Conductivity of (Choline Chloride + Ethylene Glycol) Mixtures Covering Concentrations from Neat Molecular Solvent to Supersaturated Solutions （氯化胆碱+乙二醇）混合物的密度、粘度和电导率，涵盖从纯分子溶剂到过饱和溶液的浓度

IF 2 3区工程技术

Journal of Chemical & Engineering Data Pub Date : 2025-04-25 DOI: 10.1021/acs.jced.5c0005210.1021/acs.jced.5c00052

Vira Agieienko*, Ekaterina A. Stepanova and Richard Buchner,

{"title":"Density, Viscosity, and Electrical Conductivity of (Choline Chloride + Ethylene Glycol) Mixtures Covering Concentrations from Neat Molecular Solvent to Supersaturated Solutions","authors":"Vira Agieienko*, Ekaterina A. Stepanova and Richard Buchner, ","doi":"10.1021/acs.jced.5c0005210.1021/acs.jced.5c00052","DOIUrl":"https://doi.org/10.1021/acs.jced.5c00052https://doi.org/10.1021/acs.jced.5c00052","url":null,"abstract":"This contribution provides data for density, ρ, viscosity, η, and electrical conductivity, κ, of [choline chloride (ChCl, component 1) + ethylene glycol (EG, 2)] mixtures. ChCl concentrations from neat EG to x1 = 0.333 (ChCl:2EG) were covered for ρ and η. For κ, additionally, x1 = 0.352 was studied. Temperature ranges covered are T = 278.15–363.15 K for ρ and η, and T = 278.15–338.15 K for κ. The observed temperature dependence at a given x1 could be empirically described by a quadratic function for ρ and the Vogel–Fulcher–Tammann equation for η and κ. Properties obtained for ChCl:2EG were compared to the data published so far. It turned out that sample purity, including moderate water content, does not greatly influence ChCl:2EG density. However, η(T) decreases substantially with rising water content. With some exceptions, most of the published η(T) and κ(T) data strongly disagree with the present fits. The properties derived from the measured data allowed some conclusions on interspecies interactions: apparent molar volumes obtained for the solute suggest its structure-breaking effect on the inherent EG structure, with solute–solute contacts playing the dominant role here. Despite the rather high conductivity, {ChCl + EG} mixtures show low ionicity, indicating pronounced ChCl self-aggregation.","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"70 5","pages":"2044–2056 2044–2056"},"PeriodicalIF":2.0,"publicationDate":"2025-04-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143917149","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

Physicochemical Properties, Interaction Analysis, and CO2 Capture Capacity for the Binary Mixtures of Ethylene Glycol and 1,3-Propanediamine 乙二醇和1,3-丙二胺二元混合物的物理化学性质、相互作用分析和CO2捕获能力

IF 2 3区工程技术

Journal of Chemical & Engineering Data Pub Date : 2025-04-23 DOI: 10.1021/acs.jced.5c0003610.1021/acs.jced.5c00036

Xinyu Guan, Jiawei Pang, Fengran Tan, Shufang Liu, Ning Zhu and Jiehui Ye*,

{"title":"Physicochemical Properties, Interaction Analysis, and CO2 Capture Capacity for the Binary Mixtures of Ethylene Glycol and 1,3-Propanediamine","authors":"Xinyu Guan, Jiawei Pang, Fengran Tan, Shufang Liu, Ning Zhu and Jiehui Ye*, ","doi":"10.1021/acs.jced.5c0003610.1021/acs.jced.5c00036","DOIUrl":"https://doi.org/10.1021/acs.jced.5c00036https://doi.org/10.1021/acs.jced.5c00036","url":null,"abstract":"In this study, the density (ρ) and viscosity (η) of the mixed solvent of ethylene glycol (EG) and 1,3-propanediamine (1,3-PDA) were experimentally measured over a temperature range of 293.15–318.15 K under an experimental pressure of 100.5 kPa. From these measurements, the excess molar volumes (VmE), partial molar volume (V̅), excess activation Gibbs energy (ΔG*E), and coefficient of thermal expansion (αp) of the binary mixtures were derived. The Redlich–Kister (R-K) equation was employed to fit the data for excess molar volume (VmE), viscosity deviation (Δη), and excess activation Gibbs energy (ΔG*E). Strong hydrogen bonding interactions between EG and 1,3-PDA were confirmed through spectroscopic analyses and density functional theory (DFT) calculations. Furthermore, the binary mixture exhibiting the strongest intermolecular interactions demonstrated an exceptional CO2 uptake capacity of up to 0.98 mol of CO2/mol of PDA, significantly higher than the 0.49 mol of CO2/mol of PDA observed for pure 1,3-PDA. This enhancement in CO2 absorption can be attributed to the strong hydrogen bonding interactions that suppress the volatility of 1,3-PDA.","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"70 5","pages":"2006–2017 2006–2017"},"PeriodicalIF":2.0,"publicationDate":"2025-04-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143916948","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

Can β-Cyclodextrin Function as a Nonenzymatic Biosensor for Creatinine? Exploring Host–Guest Interactions β-环糊精能否作为肌酸酐的非酶生物传感器？探索主客互动

IF 2 3区工程技术

Journal of Chemical & Engineering Data Pub Date : 2025-04-22 DOI: 10.1021/acs.jced.5c0003910.1021/acs.jced.5c00039

Swapnali S. Desai, Guruprasad J. Hasolkar, Pratiksha P. Gavhane, Mayur R. Parate, Aatish S. Daryapurkar and Dilip H. Dagade*,

{"title":"Can β-Cyclodextrin Function as a Nonenzymatic Biosensor for Creatinine? Exploring Host–Guest Interactions","authors":"Swapnali S. Desai, Guruprasad J. Hasolkar, Pratiksha P. Gavhane, Mayur R. Parate, Aatish S. Daryapurkar and Dilip H. Dagade*, ","doi":"10.1021/acs.jced.5c0003910.1021/acs.jced.5c00039","DOIUrl":"https://doi.org/10.1021/acs.jced.5c00039https://doi.org/10.1021/acs.jced.5c00039","url":null,"abstract":"Chronic kidney disease (CKD) is a global health crisis affecting approximately 10% of the population, with diabetes being the leading cause. Early detection of CKD is crucial, since creatinine is a key biomarker for this purpose. This study explores the potential of β-cyclodextrin (β-CD) as a nonenzymatic biosensor for creatinine by investigating host–guest interactions. The thermodynamic behavior of creatinine in binary and ternary aqueous solutions at 310.15 K was examined using density measurements to obtain volumetric properties, while osmotic pressure measurements provided insights into water activity and activity coefficients. The McMillan–Mayer and Kirkwood–Buff theories were applied to obtain virial coefficients and pair distribution functions to understand molecular interactions. We also examined the binding constant of the creatinine−β-CD complex and the transfer Gibbs free-energy changes for aqueous ternary solutions containing creatinine and β-CD (or NaCl). The findings highlight the significant role of hydrophobic interactions and hydration in the creatinine−β-CD system. This research provides fundamental insights into the structural and thermodynamic properties of creatinine, which are essential for the development of effective biosensors. The results underscore the potential of CD-based sensors as valuable tools for CKD management and pave the way for future advancements in electrochemical nonenzymatic creatinine biosensors.","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"70 5","pages":"2018–2034 2018–2034"},"PeriodicalIF":2.0,"publicationDate":"2025-04-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143917137","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

Investigating the Interactions of Ethyl Butanoate with 2-Alkanols through Molecular Modeling and Experimental Techniques 通过分子模拟和实验技术研究丁酸乙酯与2-烷醇的相互作用

IF 2 3区工程技术

Journal of Chemical & Engineering Data Pub Date : 2025-04-21 DOI: 10.1021/acs.jced.5c0004810.1021/acs.jced.5c00048

Mohammad Almasi, and , Ariel Hernández*,

引用次数: 0

The Effect of Confinement on the Phase Behavior of n-Pentane in Nanoporous Media: An Experimental Investigation at Varying Pore Sizes and Temperatures 限制对纳米多孔介质中正戊烷相行为的影响：不同孔径和温度下的实验研究

IF 2 3区工程技术

Journal of Chemical & Engineering Data Pub Date : 2025-04-21 DOI: 10.1021/acs.jced.4c0044410.1021/acs.jced.4c00444

Karem Al-Garadi, Keerti Vardhan Sharma* and Mohammad Piri,

{"title":"The Effect of Confinement on the Phase Behavior of n-Pentane in Nanoporous Media: An Experimental Investigation at Varying Pore Sizes and Temperatures","authors":"Karem Al-Garadi, Keerti Vardhan Sharma* and Mohammad Piri, ","doi":"10.1021/acs.jced.4c0044410.1021/acs.jced.4c00444","DOIUrl":"https://doi.org/10.1021/acs.jced.4c00444https://doi.org/10.1021/acs.jced.4c00444","url":null,"abstract":"n-Pentane, a key component of crude oil and gas condensate, exhibits altered phase behavior under nanoconfinement, affecting enhanced oil recovery (EOR) and hydrocarbon production in shale reservoirs. While its bulk phase properties are well-known, n-pentane’s behavior in nanoscale pores is not fully understood. This study investigates n-pentane’s phase behavior in silica nanopores using a gravimetric apparatus. Adsorption and desorption isotherms were measured in mesoporous MCM-41 (pore sizes: 7, 10.2, 11.3 nm) across temperatures from 24.8 to 98 °C to explore the effects on n-pentane’s phase behavior. Results show significant adsorption occurs prior to capillary condensation due to fluid–solid interactions within nanopores. Capillary condensation pressures increase with pore size and temperature, but suppression of saturation pressure under confinement decreases at higher temperatures and larger pore sizes. Hysteresis between adsorption and desorption was observed at all temperatures and pore sizes, with loops diminishing as temperature increased, indicating an impact on pore critical parameters. Application of the Kelvin equation revealed discrepancies between calculated and experimental capillary condensation pressures, highlighting the limitations of macroscopic models at the nanoscale. These findings provide novel data critical for understanding n-pentane thermodynamics under confinement, aiding the development of advanced simulation models.","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"70 5","pages":"2165–2176 2165–2176"},"PeriodicalIF":2.0,"publicationDate":"2025-04-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143917135","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

Hydrophobic Imidazole-Based Ionic Liquids for Efficient Extraction of Furfural from Wood Pulp Waste Liquor: Extraction Study and Mechanism Analysis 疏水咪唑基离子液体高效萃取木浆废液中糠醛的研究及机理分析

IF 2 3区工程技术

Journal of Chemical & Engineering Data Pub Date : 2025-04-21 DOI: 10.1021/acs.jced.5c0010410.1021/acs.jced.5c00104

Yue Wang, Xiaohe Wang, Saisai Wang, JiaWei Zhao, Yang Wu, Tao Zhang*, Zhigang Zhang and Wenxiu Li*,

{"title":"Hydrophobic Imidazole-Based Ionic Liquids for Efficient Extraction of Furfural from Wood Pulp Waste Liquor: Extraction Study and Mechanism Analysis","authors":"Yue Wang, Xiaohe Wang, Saisai Wang, JiaWei Zhao, Yang Wu, Tao Zhang*, Zhigang Zhang and Wenxiu Li*, ","doi":"10.1021/acs.jced.5c0010410.1021/acs.jced.5c00104","DOIUrl":"https://doi.org/10.1021/acs.jced.5c00104https://doi.org/10.1021/acs.jced.5c00104","url":null,"abstract":"There is a large amount of ethanol (EtOH) and a small amount of furfural (FF) in the ethanol pulping waste liquid. How to separate FF, a high value-added product, efficiently and cleanly and at the same time recover EtOH effectively and save energy is an urgent problem. This article describes the phase equilibrium process of extracting FF from wood pulp waste liquor by ionic liquids (ILs) 1-butyl-3-methylimidazolium hexafluorophosphate ([BMIM][PF6])/1-pentyl-3-methylimidazolium hexafluorophosphate ([PMIM][PF6]) as the extractant. Two ILs have excellent distribution coefficients (D) and selectivity (S) for FF, which can separate EtOH and FF well. A set of extraction performance evaluation methods based on the COSMO-RS model, liquid–liquid extraction method, and NRTL simulation were proposed. Combined with quantum chemical calculations such as interaction energy (ΔE), electrostatic potential analysis, and interaction region indicator, analysis of internal interaction and extraction mechanism between different molecules is realized.","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"70 5","pages":"2068–2076 2068–2076"},"PeriodicalIF":2.0,"publicationDate":"2025-04-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143917134","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

Activity Coefficients of HCl in Solutions Related to "Tris" Buffers in Artificial Seawater. I. HCl + TrisHCl + H₂O from 1.0 to 5.0 mol kg^-1 Ionic Strength, and from 5 to 45 °C. 人工海水中与“Tris”缓冲液相关溶液中HCl的活度系数1. HCl + TrisHCl + H2O离子强度为1.0 ~ 5.0 mol kg-1，温度为5 ~ 45℃。

IF 2 3区工程技术

Journal of Chemical & Engineering Data Pub Date : 2025-04-18 eCollection Date: 2025-05-08 DOI: 10.1021/acs.jced.5c00035

Igor Maksimov, Toshiaki Asakai, Yuya Hibino, Simon L Clegg

{"title":"Activity Coefficients of HCl in Solutions Related to \"Tris\" Buffers in Artificial Seawater. I. HCl + TrisHCl + H2O from 1.0 to 5.0 mol kg-1 Ionic Strength, and from 5 to 45 °C.","authors":"Igor Maksimov, Toshiaki Asakai, Yuya Hibino, Simon L Clegg","doi":"10.1021/acs.jced.5c00035","DOIUrl":"10.1021/acs.jced.5c00035","url":null,"abstract":"The substance Tris (2-amino-2-hydroxymethyl-1,3-propanediol, CAS 77-86-1), and its protonated form TrisH+, are used in the preparation of pH buffers in artificial seawater media for applications in marine chemistry. The development of a chemical speciation model of the buffer solutions has been proposed in order to quantify the effects of composition change on buffer pH and to address the metrological requirement for traceability of pH to SI base units. Such a model should be based upon data yielding solvent activities and mean activity coefficients (especially those of H+ with conjugate anions such as Cl- or SO4 2-) for aqueous solutions of single solutes (e.g., HCl, TrisHCl) and simple mixtures over a temperature range of about 0 to 40 °C. There are currently few data for solutions containing the ion TrisH+, and these are mostly restricted to 25 °C. Here, in the first of a series of studies, we present Harned cell measurements of potentials in solutions containing HCl and TrisHCl from 5 to 45 °C, yielding mean activity coefficients of HCl. The results at 25 °C are found to agree closely with those of literature studies. The Harned cell technique is described in detail, including the preparation of electrodes.","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"70 5","pages":"1994-2005"},"PeriodicalIF":2.0,"publicationDate":"2025-04-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12067379/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143951450","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Activity Coefficients of HCl in Solutions Related to “Tris” Buffers in Artificial Seawater. I. HCl + TrisHCl + H2O from 1.0 to 5.0 mol kg–1 Ionic Strength, and from 5 to 45 °C 人工海水中与“Tris”缓冲液相关溶液中HCl的活度系数1. HCl + TrisHCl + H2O离子强度为1.0 ~ 5.0 mol kg-1，温度为5 ~ 45℃

IF 2 3区工程技术

Journal of Chemical & Engineering Data Pub Date : 2025-04-18 DOI: 10.1021/acs.jced.5c0003510.1021/acs.jced.5c00035

Igor Maksimov*, Toshiaki Asakai, Yuya Hibino and Simon L. Clegg*,

{"title":"Activity Coefficients of HCl in Solutions Related to “Tris” Buffers in Artificial Seawater. I. HCl + TrisHCl + H2O from 1.0 to 5.0 mol kg–1 Ionic Strength, and from 5 to 45 °C","authors":"Igor Maksimov*, Toshiaki Asakai, Yuya Hibino and Simon L. Clegg*, ","doi":"10.1021/acs.jced.5c0003510.1021/acs.jced.5c00035","DOIUrl":"https://doi.org/10.1021/acs.jced.5c00035https://doi.org/10.1021/acs.jced.5c00035","url":null,"abstract":"The substance Tris (2-amino-2-hydroxymethyl-1,3-propanediol, CAS 77-86-1), and its protonated form TrisH+, are used in the preparation of pH buffers in artificial seawater media for applications in marine chemistry. The development of a chemical speciation model of the buffer solutions has been proposed in order to quantify the effects of composition change on buffer pH and to address the metrological requirement for traceability of pH to SI base units. Such a model should be based upon data yielding solvent activities and mean activity coefficients (especially those of H+ with conjugate anions such as Cl– or SO42–) for aqueous solutions of single solutes (e.g., HCl, TrisHCl) and simple mixtures over a temperature range of about 0 to 40 °C. There are currently few data for solutions containing the ion TrisH+, and these are mostly restricted to 25 °C. Here, in the first of a series of studies, we present Harned cell measurements of potentials in solutions containing HCl and TrisHCl from 5 to 45 °C, yielding mean activity coefficients of HCl. The results at 25 °C are found to agree closely with those of literature studies. The Harned cell technique is described in detail, including the preparation of electrodes.","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"70 5","pages":"1994–2005 1994–2005"},"PeriodicalIF":2.0,"publicationDate":"2025-04-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acs.jced.5c00035","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143917104","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0