Journal of Chemical & Engineering Data最新文献_第6页

Study on 2-Hydrazino-4-methylbenzothiazole in Nine Monosolvents and Four Mixed Solvents at 273.15 to 318.15 K: Solubility Determination and Modeling

IF 2 3区工程技术

Journal of Chemical & Engineering Data Pub Date : 2024-12-16 DOI: 10.1021/acs.jced.4c0050610.1021/acs.jced.4c00506

Pengjun Yao*, Farao Zhang and Yang Yu,

{"title":"Study on 2-Hydrazino-4-methylbenzothiazole in Nine Monosolvents and Four Mixed Solvents at 273.15 to 318.15 K: Solubility Determination and Modeling","authors":"Pengjun Yao*, Farao Zhang and Yang Yu, ","doi":"10.1021/acs.jced.4c0050610.1021/acs.jced.4c00506","DOIUrl":"https://doi.org/10.1021/acs.jced.4c00506https://doi.org/10.1021/acs.jced.4c00506","url":null,"abstract":"In this paper, the mole fraction solubility of 2-hydrazino-4-methylbenzothiazole (MHB) in acetone, toluene, methanol, ethanol, water, ethyl acetate, n-propanol, isopropanol, 1-butanol, and methanol/ethanol/n-propanol/acetone + water was determined by the isothermal saturation method at 273.15 to 318.15 K under 101.2 kPa. Meanwhile, high-performance liquid chromatography was used to detect the solubility of MHB. The mole fraction of MHB increased with the increase of temperature in monosolvents, and the composition of solvent mixtures also played a decisive role in the solubility of MHB in mixed systems. Then, four models for five monosolvents (Apelblat, van’t Hoff, λh, NRTL, and the Jouyban model) and three models for mixed solvents [Jouyban–Acree (J–A), van’t Hoff–Jouyban–Acree (V–J–A), and modified Apelblat–Jouyban–Acree (A–J–A) model] were utilized to correlate the mole fraction of MHB. The maximum deviations [relative average deviation (RAD) and root-mean-square deviation (RMSD)] between the experimental data and the solubility data calculated by the models for monosolvents were 7.13% and 6.11 × 10–4 (from the Jouyban model in pure ethyl acetate), respectively. The maximum RAD and RMSD for mixed systems were 1.58% (from the A–J–A model in methanol + water) and 1.35 × 10–4 (from the J–A and A–J–A models in acetone + water), respectively.","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"70 1","pages":"588–599 588–599"},"PeriodicalIF":2.0,"publicationDate":"2024-12-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143084497","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 Data and Modeling of the Density and Viscosity of Unloaded and CO2-Loaded Aqueous Aminoethylethanolamine and Mixed Aminoethylethanolamine/Piperazine Solvents

IF 2 3区工程技术

Journal of Chemical & Engineering Data Pub Date : 2024-12-13 DOI: 10.1021/acs.jced.4c0049710.1021/acs.jced.4c00497

Gaohaili Xia, Meng Li, Xiaoling Xu* and Yansheng Liu*,

{"title":"Experimental Data and Modeling of the Density and Viscosity of Unloaded and CO2-Loaded Aqueous Aminoethylethanolamine and Mixed Aminoethylethanolamine/Piperazine Solvents","authors":"Gaohaili Xia, Meng Li, Xiaoling Xu* and Yansheng Liu*, ","doi":"10.1021/acs.jced.4c0049710.1021/acs.jced.4c00497","DOIUrl":"https://doi.org/10.1021/acs.jced.4c00497https://doi.org/10.1021/acs.jced.4c00497","url":null,"abstract":"Systematic density and viscosity data for aqueous solutions of aminoethylethanolamine (AEEA) and AEEA + piperazine (AEEA/PZ) blended amine systems at different temperatures, concentrations, and CO2 loadings, where the CO2 loadings ranged from 0 to 0.6 mol of CO2/mol of amine, were presented in this paper. Then, the density and viscosity data for these systems were modeled using different correlations as a function of the concentration of the alcohol amine, the CO2 loading, and the temperature. For the unloaded and CO2-loaded AEEA systems, the density and viscosity data were correlated using the modified Redlich–Kister equation and the Weiland equation, respectively, with average relative deviations (ARDs) of 0.16 and 2.40%, respectively. While the models using the “six-parameter” equation for both the density and viscosity of the aqueous AEEA/PZ solutions system result in ARD of 0.07 and 1.80%, respectively. These correlation modeling results will be helpful for thermodynamic analysis and process simulation of the carbon capture process for the aqueous alcohol amine system.","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"70 1","pages":"283–295 283–295"},"PeriodicalIF":2.0,"publicationDate":"2024-12-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143084694","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

Adsorption Behavior of 2,3,7,8-Tetrachlorodibenzo-p-dioxin in Activated Carbon by Grand Canonical Monte Carlo: Effect of Pore Size and Distribution

IF 2 3区工程技术

Journal of Chemical & Engineering Data Pub Date : 2024-12-13 DOI: 10.1021/acs.jced.4c0030110.1021/acs.jced.4c00301

Ling Zhu, Wenqiang Wang, Yao Qin, Yulin Liu, Yingying Zhang, Jun Li, Yudan Zhu* and Xiaohua Lu,

{"title":"Adsorption Behavior of 2,3,7,8-Tetrachlorodibenzo-p-dioxin in Activated Carbon by Grand Canonical Monte Carlo: Effect of Pore Size and Distribution","authors":"Ling Zhu, Wenqiang Wang, Yao Qin, Yulin Liu, Yingying Zhang, Jun Li, Yudan Zhu* and Xiaohua Lu, ","doi":"10.1021/acs.jced.4c0030110.1021/acs.jced.4c00301","DOIUrl":"https://doi.org/10.1021/acs.jced.4c00301https://doi.org/10.1021/acs.jced.4c00301","url":null,"abstract":"Activated carbon with abundant nanoporous structures can effectively adsorb 2,3,7,8-tetrachlorodibenzo-p-dioxin (TCDD) molecules. However, an atomistic understanding of its underlying adsorption mechanism is still urgently needed because TCDD, given its strong toxicity, requires strict testing conditions in experiments. In this work, a series of grand canonical Monte Carlo (GCMC) simulations were performed to evaluate the effects of the slit width and pore size distribution (PSD) of activated carbons on TCDD adsorption. The microstructural analyses of TCDD within nanoslits demonstrate that when the slit width exceeds 0.8 nm, the orientation of TCDD molecules inclines about 30° along the axis’s normal direction, causing the adsorption amount to increase rapidly. When the slit width exceeds 2.0 nm, its disordered orientation causes the adsorption amount to reach a maximum value. Based on this understanding, we determined the effective specific pore volume (or effective specific surface area) for TCDD adsorption. In combination with the full width at half-maximum (FWHM) of the PSD, we propose the experimentally measurable structural parameter VH>0.8/FWHM (or SH>0.8/FWHM) and use it as an indicator to reflect the TCDD adsorption performance of different activated carbons. A high structural parameter of activated carbon can indicate a high TCDD adsorption amount.","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"70 1","pages":"647–658 647–658"},"PeriodicalIF":2.0,"publicationDate":"2024-12-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143084669","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

Preface to the Special Issue in Honor of Xiaohua Lu 《纪念陆晓华专刊》前言

IF 2 3区工程技术

Journal of Chemical & Engineering Data Pub Date : 2024-12-12 DOI: 10.1021/acs.jced.4c0064810.1021/acs.jced.4c00648

Gabriele Sadowski*, Liangliang Huang, Xiaoyan Ji and Yuanhui Ji,

引用次数: 0

Efficiency of Glycerol Extraction from Biodiesel in Its Production Process by Deep Eutectic Solvents Based on Choline Chloride

IF 2 3区工程技术

Journal of Chemical & Engineering Data Pub Date : 2024-12-12 DOI: 10.1021/acs.jced.4c0057610.1021/acs.jced.4c00576

Alexander A. Smirnov, Petr Kuzmenko, Artemiy A. Samarov and Maria Toikka*,

{"title":"Efficiency of Glycerol Extraction from Biodiesel in Its Production Process by Deep Eutectic Solvents Based on Choline Chloride","authors":"Alexander A. Smirnov, Petr Kuzmenko, Artemiy A. Samarov and Maria Toikka*, ","doi":"10.1021/acs.jced.4c0057610.1021/acs.jced.4c00576","DOIUrl":"https://doi.org/10.1021/acs.jced.4c00576https://doi.org/10.1021/acs.jced.4c00576","url":null,"abstract":"An efficient purification of biodiesel from glycerol (Gl) as a byproduct is a critical task for optimizing its production. This study focuses on investigating the efficiency of glycerol extraction from five model biodiesel systems (methyl butyrate, methyl hexanoate, methyl octanoate, methyl decanoate, and methyl laurate) using deep eutectic solvents (DES) based on choline chloride (ChCl)/glycerol and choline chloride/urea (Ur). The influence of DES composition (choline chloride/glycerol) on the separation efficiency was evaluated. Methanol remaining after synthesis was also extracted from the model system using DES. With an increase in the carbon chain length of the ester in the model system, the amount of residual glycerol after synthesis decreases. It was demonstrated that extraction with both DES reduces the amount of glycerol (<0.001 mole fraction) in the model system by an order of magnitude. Additionally, a deficit of glycerol in DES increases extraction efficiency. Repeated extraction allowed complete removal of residual glycerol from all model systems studied. For DES (choline chloride/urea), distribution coefficients for glycerol and methanol were calculated, confirming good separation efficiency. It is shown that the maximum distribution coefficient for glycerol and methanol is achieved in the experiment with methyl laurate, which is equal to 193 and 2.53, respectively.","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"70 1","pages":"512–517 512–517"},"PeriodicalIF":2.0,"publicationDate":"2024-12-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143084412","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

Investigation on the pρT Property of a Thymol/Decanoic Acid Eutectic Mixture

IF 2 3区工程技术

Journal of Chemical & Engineering Data Pub Date : 2024-12-12 DOI: 10.1021/acs.jced.4c0060010.1021/acs.jced.4c00600

Long Ma, Wenzhe Dang and Xiaopo Wang*,

{"title":"Investigation on the pρT Property of a Thymol/Decanoic Acid Eutectic Mixture","authors":"Long Ma, Wenzhe Dang and Xiaopo Wang*, ","doi":"10.1021/acs.jced.4c0060010.1021/acs.jced.4c00600","DOIUrl":"https://doi.org/10.1021/acs.jced.4c00600https://doi.org/10.1021/acs.jced.4c00600","url":null,"abstract":"Due to the advantages of hydrophobility and low viscosity, type V (deep) eutectic solvents have attracted more and more attention in recent years. However, the p-ρ-T property of the type V solvent is still scarce, which limited its further application. In this work, the high-pressure liquid densities of thymol/decanoic acid eutectic solvents at molar ratios of 2:3, 1:1, and 3:2 were measured using a vibrating-tube densimeter. The studied temperature range was from 293.15 to 363.15 K and the maximum pressure reached was 40 MPa. The combined expanded uncertainty for the present density measurement was estimated to be lower than 0.96 kg·m–3 at a confidence level of 95%. The experimental results were correlated using a Tait-type equation and a multiparametric equation, respectively. The average absolute relative deviation between the experimental data and calculated values is within 0.006% for the Tait equation and 0.007% for the multiparametric equation. In addition, the isothermal compression coefficient, isobaric thermal expansion coefficient, and internal pressure of thymol/decanoic acid solvents were calculated and discussed.","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"70 1","pages":"315–323 315–323"},"PeriodicalIF":2.0,"publicationDate":"2024-12-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143084227","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

Studies of Phase Equilibria in Quaternary Systems NaCl + BaCl2 + SrCl2 + H2O and NaCl + KCl + BaCl2 + H2O at 323.0 K

IF 2 3区工程技术

Journal of Chemical & Engineering Data Pub Date : 2024-12-12 DOI: 10.1021/acs.jced.4c0055210.1021/acs.jced.4c00552

Yun-Yun Gao*, Chenzhi Huang, Chen Wu, Lingqiong Xian, Wei Peng, Jianghan Zhao and Bowen Liu,

{"title":"Studies of Phase Equilibria in Quaternary Systems NaCl + BaCl2 + SrCl2 + H2O and NaCl + KCl + BaCl2 + H2O at 323.0 K","authors":"Yun-Yun Gao*, Chenzhi Huang, Chen Wu, Lingqiong Xian, Wei Peng, Jianghan Zhao and Bowen Liu, ","doi":"10.1021/acs.jced.4c0055210.1021/acs.jced.4c00552","DOIUrl":"https://doi.org/10.1021/acs.jced.4c00552https://doi.org/10.1021/acs.jced.4c00552","url":null,"abstract":"In order to reveal the mineralization process of salts in the gas field water, studies of the solid–liquid phase equilibria of the systems are essential. The solid–liquid phase equilibria of the systems NaCl + BaCl2 + SrCl2 + H2O, NaCl + KCl + BaCl2 + H2O, and NaCl + BaCl2 + H2O at 323.0 K were studied. The corresponding equilibrium solid phases were identified by chemical analysis and powder-crystal X-ray diffraction, and the isothermal phase diagrams were drawn. The phase diagram of the ternary system NaCl + BaCl2 + H2O at 323.0 K contains one invariant point and two isothermal solubility curves. The phase diagram of the quaternary system NaCl + BaCl2 + SrCl2 + H2O at 323.0 K contains one invariant point and three isothermal solubility curves. In the dry salt phase diagram of NaCl + KCl + BaCl2 + H2O at 323.0 K, three salts, NaCl, KCl, and BaCl2, reach equilibrium at the only invariant point. These above experimental results can provide a theoretical basis for the extraction of associated barium and strontium resources in the gas field water.","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"70 1","pages":"619–626 619–626"},"PeriodicalIF":2.0,"publicationDate":"2024-12-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143084687","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 and Isobaric Thermal Expansion of the Liquid-Phase Binary Glycerol + Dimethyl Sulfoxide Mixture at Temperatures from 278.15 to 333.15 K and Ambient Pressure

IF 2 3区工程技术

Journal of Chemical & Engineering Data Pub Date : 2024-12-12 DOI: 10.1021/acs.jced.4c0033010.1021/acs.jced.4c00330

Gennadiy I. Egorov*, Alyona A. Kruglyakova and Mikhail E. Nikitin,

{"title":"Density and Isobaric Thermal Expansion of the Liquid-Phase Binary Glycerol + Dimethyl Sulfoxide Mixture at Temperatures from 278.15 to 333.15 K and Ambient Pressure","authors":"Gennadiy I. Egorov*, Alyona A. Kruglyakova and Mikhail E. Nikitin, ","doi":"10.1021/acs.jced.4c0033010.1021/acs.jced.4c00330","DOIUrl":"https://doi.org/10.1021/acs.jced.4c00330https://doi.org/10.1021/acs.jced.4c00330","url":null,"abstract":"The densities of the liquid-phase binary {glycerol (1) + dimethyl sulfoxide (2)} mixture were measured using a vibration densimeter over the entire range of compositions in the temperature range from 278.15 to 333.15 K at atmospheric pressure. At temperatures below the DMSO freezing point, the measurements were carried out over a limited range of compositions. The excess molar volumes, molar isobaric temperature expansions of the mixture, and apparent and partial molar volumes of glycerol (GL) and dimethyl sulfoxide (DMSO), including their limiting values, were calculated. A comparison of the obtained results to the literature data was made. The excess molar volumes were described by the Redlich–Kister equation. The formation of the glycerol + dimethyl sulfoxide mixture was shown to be accompanied by a decrease in volume at all of the temperatures, and as the temperature became higher, the deviation from ideality increased. The limiting partial molar volumes of GL and DMSO were less than their respective molar volumes. The temperature coefficients of the limiting molar isobaric thermal expansion of both glycerol and dimethyl sulfoxide had negative values. The results obtained were discussed from the perspective of solute–solvent and solute–solute interactions.","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"70 1","pages":"105–114 105–114"},"PeriodicalIF":2.0,"publicationDate":"2024-12-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143084844","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

Isobaric Vapor–Liquid Equilibrium Experiments of Methyl Propionate + Ethanol with Different Ionic Liquids at 101.3 kPa

IF 2 3区工程技术

Journal of Chemical & Engineering Data Pub Date : 2024-12-12 DOI: 10.1021/acs.jced.4c0051710.1021/acs.jced.4c00517

Jingheng Zhu, Yanli Sun, Yongbo Chen, Niangeng Wu, Ruicheng Shi, Zhongqi Ren, Qunsheng Li* and Hongkang Zhao*,

引用次数: 0

Isobaric Vapor–Liquid Equilibrium for the Binary System of Decamethyltetrasiloxane and Dodecamethylpentasiloxane at 11.0, 50.0, and 101.3 kPa

IF 2 3区工程技术

Journal of Chemical & Engineering Data Pub Date : 2024-12-11 DOI: 10.1021/acs.jced.4c0049010.1021/acs.jced.4c00490

Zhen Chen, ZhanKun Jiang*, Jinyi Chen, Ping Lu, Chao Hua* and Qing Yuan*,

引用次数: 0