Journal of Chemical & Engineering Data最新文献

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Determination and Correlation of the Solubility of Potassium Fluoride in Eight Single Solvents and Four Binary Solvent Mixtures at Different Temperatures 不同温度下氟化钾在八种单一溶剂和四种二元溶剂混合物中的溶解度测定及相关性分析
IF 2.694 3区 工程技术
Journal of Chemical & Engineering Data Pub Date : 2024-07-03 DOI: 10.1021/acs.jced.4c00059
Ziyi Xue, Hansong Wang, Jiaxuan Chen, Zidan Cao, Tao Li, Yu Li, Baozeng Ren
{"title":"Determination and Correlation of the Solubility of Potassium Fluoride in Eight Single Solvents and Four Binary Solvent Mixtures at Different Temperatures","authors":"Ziyi Xue, Hansong Wang, Jiaxuan Chen, Zidan Cao, Tao Li, Yu Li, Baozeng Ren","doi":"10.1021/acs.jced.4c00059","DOIUrl":"https://doi.org/10.1021/acs.jced.4c00059","url":null,"abstract":"This study investigated the mole fraction solubility of potassium fluoride in eight single solvents (methanol, ethanol, n-propanol, n-butanol, 2-methoxyethanol, 2-ethoxyethanol, 2-propoxyethanol, and 1-methoxy-2-propanol) and four binary solvent mixtures (methanol + isopropanol, methanol + acetone, methanol + acetonitrile, and methanol + ethyl acetate) using the gravimetric method within the temperature range of 278.15 to 323.15 K (with 5 K intervals). The results demonstrated a gradual decrease in the solubility of potassium fluoride with increasing temperatures across all investigated solvent systems. For the four binary solvent mixtures studied, the solubility of potassium fluoride exhibited an increase with a higher mass fraction of methanol at a constant temperature. The experimental solubility data were correlated using four empirical models (van’t Hoff model, modified Apelblat model, CNIBS/R-K model, and Jouyban–Acree–Apelblat model), all of which exhibited excellent fitting performance. Comparison of different model fitting results revealed that the modified Apelblat model yielded lower values for relative deviation (ARD) and root-mean-square deviation (RMSD), indicating its superior fitting accuracy and suitability for fitting the experimental data of potassium fluoride in the selected solvents.","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":null,"pages":null},"PeriodicalIF":2.694,"publicationDate":"2024-07-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141549424","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
Densities, Viscosities, and Self-Diffusion Coefficients of Octan-1-ol and Related Ether-Alcohols 辛醇及相关醚醇的密度、粘度和自扩散系数
IF 2.694 3区 工程技术
Journal of Chemical & Engineering Data Pub Date : 2024-07-03 DOI: 10.1021/acs.jced.4c00195
Markus M. Hoffmann, Anthony A. Gonzalez, Mandy T. Huynh, Kashane K. Miller, Torsten Gutmann, Gerd Buntkowsky
{"title":"Densities, Viscosities, and Self-Diffusion Coefficients of Octan-1-ol and Related Ether-Alcohols","authors":"Markus M. Hoffmann, Anthony A. Gonzalez, Mandy T. Huynh, Kashane K. Miller, Torsten Gutmann, Gerd Buntkowsky","doi":"10.1021/acs.jced.4c00195","DOIUrl":"https://doi.org/10.1021/acs.jced.4c00195","url":null,"abstract":"Density, viscosity, and self-diffusion coefficients are reported for octan-1-ol and the related ether-alcohols 2-pentoxy-ethan-1-ol, 3-butoxypropan-1-ol, 4-propoxybutan-1-ol, 5-ethoxypentan-1-ol, and 6-methoxyhexan-1-ol covering temperature ranges from 298.15 to 359.15 K. These new data reveal structure–property relationships affected by the presence and the position of the ether moiety in the molecular structure of the ether-alcohols. Compared to octan-1-ol, the presence of the ether moiety causes an increase in intermolecular hydrogen bonding interactions, resulting in higher densities. The increase in density is less pronounced for those ether-octanols that engage in intramolecular hydrogen bonding. As for the effects of the ether moiety on the dynamics, these are generally faster for the ether-alcohols compared to octan-1-ol, suggesting that hydrogen bonding between ether oxygen and hydroxy hydrogen is weaker compared to hydrogen bonding between two hydroxy groups. The activation energies obtained from an Arrhenius analysis are higher for translational motion than for momentum transfer for all alcohols. There are additional finer details across the ether alcohols for these activation barriers. These differences cancel out for the mathematical product of self-diffusion coefficient and viscosity (<i>Dη</i>). The effect of water impurities on the studied properties was also investigated and found to lead to small increases in densities for all alcohols. Viscosities decrease for octan-1-ol and 2-pentoxyethan-1-ol but increase for the other ether-alcohols that can engage in intramolecular hydrogen bonding.","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":null,"pages":null},"PeriodicalIF":2.694,"publicationDate":"2024-07-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141549425","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
Effect of Salts, Impurities, and Low Water Contents in the Formation of Gas Hydrates in CO2-Rich Streams 富二氧化碳流中盐分、杂质和低含水量对天然气水合物形成的影响
IF 2.694 3区 工程技术
Journal of Chemical & Engineering Data Pub Date : 2024-07-02 DOI: 10.1021/acs.jced.4c00075
António J. Queimada, Xiaohong Zhang, Nuno Pedrosa, Behnam Salimi
{"title":"Effect of Salts, Impurities, and Low Water Contents in the Formation of Gas Hydrates in CO2-Rich Streams","authors":"António J. Queimada, Xiaohong Zhang, Nuno Pedrosa, Behnam Salimi","doi":"10.1021/acs.jced.4c00075","DOIUrl":"https://doi.org/10.1021/acs.jced.4c00075","url":null,"abstract":"Carbon capture utilization and storage (CCUS) together with natural gas production from high CO<sub>2</sub>-containing reservoirs has raised attention to the formation of CO<sub>2</sub>-rich gas hydrates. These gas mixtures can contain impurities such as Ar, O<sub>2</sub>, N<sub>2</sub>, H<sub>2</sub>, NxOy, CO, H<sub>2</sub>S, SO<sub>2</sub>, or mercury, some of which are also hydrate formers or potential corrosion enhancers. This paper addresses the use of thermodynamic models to predict the phase behavior of CO<sub>2</sub>-rich streams. It starts from the overall binary phase equilibria of CO<sub>2</sub> with water. Then, gas hydrates and the effect of different impurities on the hydrate phase behavior are observed. Furthermore, the effect of salts on CO<sub>2</sub> solubility and the influence of inhibitors such as salts on CO<sub>2</sub> hydrate suppression are analyzed. For modeling hydrates, the solid solution theory of van der Waals and Platteeuw, as implemented by Parrish and Prausnitz, is used coupled with the Cubic-Plus-Association equation of state (CPA EoS) for representing the fluid phases. The influence of electrolytes on hydrate formation and CO<sub>2</sub> solubility in brines is modeled with an add-on electrolyte term based on the Debye–Hückel theory. The main objective of this Perspective is to consider all possible phase equilibria simultaneously, as in CCUS applications we cannot detach the different phase equilibria conditions. The results demonstrate that the selected models can accurately represent the phase behavior of CO<sub>2</sub>-rich streams and the effect of salts and impurities on gas hydrate formation.","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":null,"pages":null},"PeriodicalIF":2.694,"publicationDate":"2024-07-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141549426","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 Influence of Cosolvents on the Solubility of Febuxostat in Supercritical CO2: Experimental Analysis and Artificial Intelligence Study 研究助溶剂对非布索坦在超临界二氧化碳中溶解度的影响:实验分析与人工智能研究
IF 2 3区 工程技术
Journal of Chemical & Engineering Data Pub Date : 2024-07-01 DOI: 10.1021/acs.jced.4c00208
Oday Sajjad Alsawad, Ahmad Qasim Mohammad AlHamad, Carlos Rodriguez-Benites, Ashwani Kumar, Harpreet Kaur, Atreyi Pramanik, Ahmed Hjazi*, Abhinav Kumar*, Hamza Fadhel Hamzah and Israa Hussein Mohammed, 
{"title":"Investigating the Influence of Cosolvents on the Solubility of Febuxostat in Supercritical CO2: Experimental Analysis and Artificial Intelligence Study","authors":"Oday Sajjad Alsawad,&nbsp;Ahmad Qasim Mohammad AlHamad,&nbsp;Carlos Rodriguez-Benites,&nbsp;Ashwani Kumar,&nbsp;Harpreet Kaur,&nbsp;Atreyi Pramanik,&nbsp;Ahmed Hjazi*,&nbsp;Abhinav Kumar*,&nbsp;Hamza Fadhel Hamzah and Israa Hussein Mohammed,&nbsp;","doi":"10.1021/acs.jced.4c00208","DOIUrl":"10.1021/acs.jced.4c00208","url":null,"abstract":"<p >Assessing the solubility of pharmaceutical compounds in supercritical carbon dioxide (scCO<sub>2</sub>) is a fundamental prerequisite for advancing the application of supercritical technologies in the pharmaceutical sector. The supercritical solubility of Febuxostat, a drug with limited solubility often prescribed for gout patients to lower blood uric acid levels, has previously been studied within the pressure and temperature ranges of 12–27 MPa and 308–338 K, exhibiting a mole fraction range of 0.05 × 10<sup>–4</sup>–7.42 × 10<sup>–4</sup>. This study explores the influence of various cosolvents, namely, ethanol, acetone, and dimethyl sulfoxide (DMSO), on the supercritical solubility of Febuxostat under comparable conditions. Results indicate solubility within the mole fraction range of 0.180 × 10<sup>–4</sup>–26.658 × 10<sup>–4</sup> for ethanol, 0.120 × 10<sup>–4</sup>–14.810 × 10<sup>–4</sup> for acetone, and 0.108 × 10<sup>–4</sup>–14.366 × 10<sup>–4</sup> for DMSO, respectively. Ethanol exhibits the most substantial impact, enhancing the supercritical solubility of Febuxostat by approximately 2.4–3.8 times, while acetone and DMSO contribute to an increase of approximately 2–2.5 times. Furthermore, the study employs empirical models and an artificial neural network (ANN) approach to theoretically investigate the supercritical solubility of Febuxostat with these cosolvents. Among the empirical models, the Jouyban model demonstrates the most accurate correlation for the solubility data of all cosolvents. Moreover, the ANN model demonstrates exceptional accuracy in forecasting the solubility of Febuxostat, with a mean AARD % of 3.207% and <i>R</i><sub>adj</sub> of 0.993 across all experimental measurements for Febuxostat solubility in scCO<sub>2</sub> + ethanol, scCO<sub>2</sub> + acetone, and scCO<sub>2</sub> + DMSO solvents.</p>","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":null,"pages":null},"PeriodicalIF":2.0,"publicationDate":"2024-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141516964","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 Ultrasonic Studies on Interactions of 2-Methoxyethanol/2-Ethoxyethanol in Aqueous Solutions of Inositol at Different Temperatures 不同温度下肌醇水溶液中 2-甲氧基乙醇/2-乙氧基乙醇相互作用的体积和超声波研究
IF 2 3区 工程技术
Journal of Chemical & Engineering Data Pub Date : 2024-06-28 DOI: 10.1021/acs.jced.4c00088
Harsimaran Kaur, Nabaparna Chakraborty and Kailash Chandra Juglan*, 
{"title":"Volumetric and Ultrasonic Studies on Interactions of 2-Methoxyethanol/2-Ethoxyethanol in Aqueous Solutions of Inositol at Different Temperatures","authors":"Harsimaran Kaur,&nbsp;Nabaparna Chakraborty and Kailash Chandra Juglan*,&nbsp;","doi":"10.1021/acs.jced.4c00088","DOIUrl":"10.1021/acs.jced.4c00088","url":null,"abstract":"<p >This study aims to investigate the physicochemical properties of 2-methoxyethanol (2-ME) and 2-ethoxyethanol (2-EE) in aqueous solutions of inositol at different concentrations and temperatures. The physical properties, of the solutions, including density (ρ), speed of sound (<i>c</i>), and spectroscopic properties, were measured to analyze the interactions between solutes and solvents. The study was conducted at a pressure of 0.1 MPa and four different temperatures (288.15, 298.15, 308.15, and 318.15) K, with a difference of 10 K between each temperature. The apparent molar properties and partial molar properties were obtained by using density and sound speed data to determine the solute–solvent interactions among the (2-ME/2-EE + water + inositol). The limiting apparent molar expansibilities (<i>E</i><sub>ϕ</sub><sup>0</sup>) and its first-order derivatives (∂<i>E</i><sub>ϕ</sub><sup>0</sup>/∂<i>T</i>)<sub>p</sub> were also calculated. The findings were analyzed to understand the hydrophilic–hydrophilic and hydrophilic–hydrophobic interactions within these systems. In addition, an FTIR spectroscopic study of a binary mixture (inositol and water) was conducted to provide further insights into the interactions between the solutes and solvents.</p>","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":null,"pages":null},"PeriodicalIF":2.0,"publicationDate":"2024-06-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141516963","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 Behavior, Solvent Effect, and Data Correlation of 3,4-Dimethoxycinnamic Acid in 12 Pure Solvents at Multiple Temperatures 多种温度下 3,4-二甲氧基肉桂酸在 12 种纯溶剂中的溶解度行为、溶剂效应和数据相关性
IF 2 3区 工程技术
Journal of Chemical & Engineering Data Pub Date : 2024-06-27 DOI: 10.1021/acs.jced.4c00180
Yongjie Wang, Jiaxin Wang, Shujing Zhang, Jing Huang* and Peng Wang*, 
{"title":"Solubility Behavior, Solvent Effect, and Data Correlation of 3,4-Dimethoxycinnamic Acid in 12 Pure Solvents at Multiple Temperatures","authors":"Yongjie Wang,&nbsp;Jiaxin Wang,&nbsp;Shujing Zhang,&nbsp;Jing Huang* and Peng Wang*,&nbsp;","doi":"10.1021/acs.jced.4c00180","DOIUrl":"10.1021/acs.jced.4c00180","url":null,"abstract":"<p >3,4-Dimethoxycinnamic acid (DMCA) is a crucial pharmaceutical intermediate, and the research on the solubility behavior of DMCA in organic solvents is necessary for processes of crystallization and separation. The solid–liquid equilibrium data of DMCA in 12 pure solvents (methanol, ethanol, <i>n</i>-propanol, isopropanol, <i>n</i>-butanol, isobutanol, acetone, 2-butanone, acetonitrile, methyl acetate, ethyl acetate, and 1,4-dioxane) ranging from 283.15 to 323.15 K were measured by the static gravimetric method. Its solubility in all studied solvents increases with an increase of temperature. Besides, solubility behavior is primarily determined by solvent polarity [<i>E</i><sub>T</sub>(30)], hydrogen bonding, and cohesive energy density. Hirshfeld surface analysis and molecular electrostatic potential surface were applied to obtain visual analysis of the crystal structure and the overall charge distribution. What is more, five solubility fitting models were used to correlate the experimental mole fraction solubility data, including the modified Apelblat model, the λ<i>h</i> equation, the non-random two liquid (NRTL) model, the Wilson model, and the UNIQUAC model. Furthermore, the NRTL model was utilized to calculate the mixing thermodynamic characteristics of DMCA in these solvents. The results indicated that the mixing process was entropy-driven and spontaneous.</p>","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":null,"pages":null},"PeriodicalIF":2.0,"publicationDate":"2024-06-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141549427","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
Effect of Ionic Liquid Choline Lactate on Thermodynamic and Transport Properties of Amino Acids Glycine, l-Alanine, and l-Phenylalanine 离子液体乳酸胆碱对氨基酸甘氨酸、l-丙氨酸和 l-苯丙氨酸的热力学和运输特性的影响
IF 2 3区 工程技术
Journal of Chemical & Engineering Data Pub Date : 2024-06-27 DOI: 10.1021/acs.jced.4c00186
Aylar Zendehbad, Mohammad Bagheri, Masumeh Mokhtarpour, Hemayat Shekaari* and Mohammed Taghi Zafarani-Moattar, 
{"title":"Effect of Ionic Liquid Choline Lactate on Thermodynamic and Transport Properties of Amino Acids Glycine, l-Alanine, and l-Phenylalanine","authors":"Aylar Zendehbad,&nbsp;Mohammad Bagheri,&nbsp;Masumeh Mokhtarpour,&nbsp;Hemayat Shekaari* and Mohammed Taghi Zafarani-Moattar,&nbsp;","doi":"10.1021/acs.jced.4c00186","DOIUrl":"10.1021/acs.jced.4c00186","url":null,"abstract":"<p >The use of hazardous and unstable solvents in various industries, particularly those involved in pharmaceuticals and chemicals, leads to significant environmental issues. Ionic liquids (ILs), a novel class of solvents, are often categorized as ″green solvents″ due to their low vapor pressure. Among them, choline-based ILs exhibit a low toxicity and high biodegradability. This study aims to synthesize and characterize ionic liquid choline lactate ([Ch][La]) using <sup>1</sup>H-NMR and FT-IR spectroscopy and examining solute–solvent interactions based on measured thermophysical properties of the amino acids glycine, <i>L</i>-alanine, and <i>L</i>-phenylalanine in the presence of the IL. The density, speed of sound, viscosity, and electrical conductivity data are measured for obtaining volumetric, acoustic, and transport properties at 298.15 K. By utilizing Masson, Jones–Dole, and lcCM equations, various thermodynamic properties such as partial molar volume <i>V</i><sub>φ</sub><sup>0</sup>, partial molar isentropic compressibility κ<sub>φ</sub><sup>0</sup>, viscosity <i>B</i>-coefficient, limiting molar conductivity <i>Λ</i><sub>0</sub>, and ion association constant <i>K</i><sub><i>A</i></sub> have been computed. The ion–ion interaction and ion–hydrophilic interaction between the ionic liquid and amino acid dominate with increasing temperature.</p>","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":null,"pages":null},"PeriodicalIF":2.0,"publicationDate":"2024-06-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141549428","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
Machine Learning Assisted Discovery of Efficient MOFs for One-Step C2H4 Purification from Ternary C2H2/C2H4/C2H6 Mixtures 机器学习辅助发现从 C2H2/C2H4/C2H6 三元混合物中一步提纯 C2H4 的高效 MOFs
IF 2.694 3区 工程技术
Journal of Chemical & Engineering Data Pub Date : 2024-06-27 DOI: 10.1021/acs.jced.4c00244
Tongan Yan, Zhengqing Zhang, Chongli Zhong
{"title":"Machine Learning Assisted Discovery of Efficient MOFs for One-Step C2H4 Purification from Ternary C2H2/C2H4/C2H6 Mixtures","authors":"Tongan Yan, Zhengqing Zhang, Chongli Zhong","doi":"10.1021/acs.jced.4c00244","DOIUrl":"https://doi.org/10.1021/acs.jced.4c00244","url":null,"abstract":"Purifying C<sub>2</sub>H<sub>4</sub> from a mixture of C<sub>2</sub>H<sub>2</sub>/C<sub>2</sub>H<sub>4</sub>/C<sub>2</sub>H<sub>6</sub> using a single adsorbent is crucial industrially. Yet, the challenge lies in their similar physicochemical properties, leading to low separation efficiency. Additionally, the lack of understanding regarding the structure–performance relationships hinders the development of high-performance metal–organic frameworks (MOFs). In this study, machine learning assisted high-throughput molecular simulation methods are employed to discover efficient MOFs for one-step C<sub>2</sub>H<sub>4</sub> purification. The general material design strategies were proposed based on the analysis of 14,142 CoRE MOF simulation data. These include locking open metal sites, ensuring relative mass proportion of H atoms in the range of 2–4%, optimizing the largest cavity diameter to span 5–7 Å (ultramicropore), and fine-tuning <i>φ</i> within 0.5–0.6. Further using the computational insights obtained, 10 materials were identified with both C<sub>2</sub>H<sub>2</sub>/C<sub>2</sub>H<sub>4</sub> and C<sub>2</sub>H<sub>6</sub>/C<sub>2</sub>H<sub>4</sub> selectivities exceeding 3 from 137,953 hypothetical MOFs and 303,991 generated MOFs through additional molecular simulations. Our study not only provides screened and designed potential candidates for efficient one-step C<sub>2</sub>H<sub>4</sub> purification from ternary C<sub>2</sub>H<sub>2</sub>/C<sub>2</sub>H<sub>4</sub>/C<sub>2</sub>H<sub>6</sub> mixtures but also provides useful information for further performance improvement.","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":null,"pages":null},"PeriodicalIF":2.694,"publicationDate":"2024-06-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141516966","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
Choline Chloride- and Organic Acids-Based Deep Eutectic Solvents: Exploring Chemical and Thermophysical Properties 基于氯化胆碱和有机酸的深共晶溶剂:探索化学和热物理性质
IF 2.694 3区 工程技术
Journal of Chemical & Engineering Data Pub Date : 2024-06-27 DOI: 10.1021/acs.jced.3c00706
Matheus Romeiro Pinho, Alvaro Silva Lima, Gerlon de Almeida Ribeiro Oliveira, Luciano Morais Liao, Elton Franceschi, Rafael da Silva, Lucio Cardozo-Filho
{"title":"Choline Chloride- and Organic Acids-Based Deep Eutectic Solvents: Exploring Chemical and Thermophysical Properties","authors":"Matheus Romeiro Pinho, Alvaro Silva Lima, Gerlon de Almeida Ribeiro Oliveira, Luciano Morais Liao, Elton Franceschi, Rafael da Silva, Lucio Cardozo-Filho","doi":"10.1021/acs.jced.3c00706","DOIUrl":"https://doi.org/10.1021/acs.jced.3c00706","url":null,"abstract":"Deep eutectic solvents (DES) have been the subject of numerous studies in the literature with the aim of replacing traditional solvents due to their green solvents’ characteristics such as low toxicity, biodegradability, and versatility. Despite their numerous advantages, it is increasingly urgent to determine their chemical and thermophysical properties for a more accurate industrial use. This study presents experimental data on the physicochemical properties of deep eutectic solvents containing choline and different organic acids. Spectroscopy analyses confirm the occurrence of carboxylic esterification reaction, particularly in the malonic acid mixture. Thermal analyses by differential scanning calorimetry and thermogravimetric analysis reveal the crucial role of hydrogen bond donors in the thermophysical characteristics of the DES prepared. The thermophysical behaviors of DES are described by linear relationships, where the size of the alkyl chain exerts a considerable influence on the parameters of density, viscosity, and refractive index. Cyclic voltammetry demonstrates a wide electrochemical stability window (−1.16 to 2.19 V) for mixtures containing malonic and 3-phenylpropionic acids and a pronounced irreversible reductive signal for mixtures containing acetic and propionic acids.","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":null,"pages":null},"PeriodicalIF":2.694,"publicationDate":"2024-06-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141516965","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 Data of Gadolinium–Strontium Phosphate 钆锶磷酸盐的热力学数据
IF 2 3区 工程技术
Journal of Chemical & Engineering Data Pub Date : 2024-06-26 DOI: 10.1021/acs.jced.4c00190
Vladimir I. Pet’kov*, Artem I. Bokov, Natalia N. Smirnova, Alexey V. Markin and Diana G. Fukina, 
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