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JOURNAL OF SOLUTION CHEMISTRY · 2021 ·Vol. 50 ·期 4 ·544-557 · IF 1.677

Liquid–Liquid Equilibrium for Ternary System of Water + 2-Methyl-3-buten-2-ol + (Methyl tert-butyl ether/Butyl acetate/4-Methyl-2-pentanone/2-Ethyl-1-hexanol) at 308.2 K

Dong Shihua,Jia Bing,Chen Xiubin,Jiang Xiaobo

For separation of the azeotropes of water + 2-methyl-3-buten-2-ol by liquid–liquid extraction, methyl tert-butyl ether or butyl acetate or 4-methyl-2-pentanone or 2-ethyl-1-hexanol was selected as the extraction solvent. The liquid–liquid equilibrium (LLE) data for water + 2-methyl-3-buten-2-ol + (methyl tert-butyl ether/butyl acetate/4-methyl-2-pentanone/2-ethyl-1-hexanol) ternary systems at 308.2 K under 101.3 kPa were determined. The distribution coefficient and the separation factor were calculated to evaluate the extraction ability of different solvents. The Othmer–Tobias, Bachman, and Hand equations were applied to verify the reliability of the experimental LLE data. Meanwhile, the experimental LLE data were successfully correlated by the NRTL and UNIQUAC models with the root-mean-square deviations (RMSD) were less than 0.42%.

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THERMOCHIMICA ACTA · 2019 · IF 2.251

The excess molar volume and the molar surface Gibbs energy of the binary of the ether-functionalized ionic liquids [C22O1IM][TfO] with ethanol and isomeric propanols at T = (288.15–318.15) K

Da-Wei Fang,Xiao-Hong Hu,Kun-Hao Liang,Qiang Yan,Jie Wei

The density and surface tension for the binary mixtures of ionic liquid (ILs) [C 2 2O1IM][TfO] with ethanol, 1-propanol and 2-propanol are measured across the entire range of mole fraction at T = (288.15–318.15) K. The excess molar volumes of the binary mixtures are calculated, the relationship between V E and the mole fraction and temperature are explored. Especially, the term, △ V E /△ T is proposed to describe the interaction between the solvent and solute quantificationally. The molar surface Gibbs energy of the binary mixtures are obtained based on the density and surface tension, and the interaction between the components in both liquid and surface phase of the binary mixture is discussed. And its applications are also explored, including the estimation of surface tension for the binary mixtures and the improvement of the traditional Eötvös equation. At the same time, the polarity of the binary mixtures of [C 2 2O1IM][TfO] with alcohols is obtained.

CAS / MDL: 64-17-5 67-63-0 71-23-8
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JOURNAL OF CHEMICAL AND ENGINEERING DATA · 2021 · IF 2.694

Measurement of the Thermal Conductivities of Toluene, Cyclohexane, and Diethyl Ether at Pressures up to 15.1 MPa and Their Binary Mixtures at Pressures 0.1 and 10.1 MPa from 291 to 351 K

Fei Yu,Liu-Ying Yu,Ke-Jun Wu,Chao-Hong He

In this work, the thermal conductivities of toluene, cyclohexane, and diethyl ether were measured from 291 to 351 K at pressures up to 15.1 MPa. The binary systems of toluene–cyclohexane, toluene–diethyl ether, and cyclohexane–diethyl ether were also measured from 291 to 351 K at pressures 0.1 and 10.1 MPa. The relative expanded uncertainty of the obtained data was estimated to be ±2% with a confidence level of 0.95 (k = 2). The linear thermal conductivity model was used to correlate the pure components as a function of temperature and pressure. The thermal conductivities of binary systems were fitted as a function of temperature and composition. For pure components, the maximum values of absolute percentage deviation (AAD) and maximum absolute percentage deviation (MAD) are 0.45 and 0.87%, respectively. For binary systems, the maximum values of AAD and MAD are 0.56 and 1.79%, respectively.

CAS / MDL: 110-82-7
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JOURNAL OF CHEMICAL AND ENGINEERING DATA · 2020 · IF 2.369

Synergistic Extraction of Hydroquinone from an Aqueous Solution with a Solvent Mixture of Diisopropyl Ether and n-Pentanol at T = 298.15 K and P = 101.3 kPa: Liquid–Liquid Equilibria and Data Correlation

Miyangzi Suo,Bokun Chen,Yu Qian,Siyu Yang

The synergistic effect for a solvent mixture of diisopropyl ether and n-Pentanol to extract hydroquinone from aqueous solution was investigated. Liquid–liquid equilibrium data of the quaternary (n-Pentanol + diisopropyl ether + water + hydroquinone) system were measured at T = 298.15 K and P = 101.3 kPa, using various compositions of solvent mixture. It can be seen from the slope of the tie lines that with the increase of distribution coefficients of hydroquinone, the size of the immiscible solution region decreased slightly. The extraction efficiency was evaluated by calculating the separation factor and distribution coefficient. Using the universal quasichemical (UNIQUAC) and nonrandom two-liquid (NRTL) models to correlate with experimental data, the corresponding binary interaction parameters were obtained. The RMSD values of UNIQUAC and NRTL models showed that the calculated results were in good agreement with the liquid–liquid equilibrium data.

CAS / MDL: 71-41-0
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NEW JOURNAL OF CHEMISTRY · 2023 · IF 3.3

The potassium energy storage behavior of Nickel-Znic co-doped Prussian blue analogs formed by a chelating agent assisted route and its application in a K+-proton hybrid ions aqueous alkaline Battery

Ruiqing Hua,Caiyun Xu,Dian Lin,Deyu Qu,Xi Li,Ruiming Zhang,Zhizhong Xie,Haolin Tang,Junsheng Li,Dan Liu

A serials of nickel-zinc hexacyanoferrate (NixZnyHCF) are synthesized through a conventional co-precipitation method and the potassium ion storage performances are tested in 30% KOH solution. Among those samples, the Ni3Zn1HCF obtained the highest capacity. (96.7mAh g-1) After introducing the chelating agent into the synthesis procedure, the obtained Ni3Zn1HCF-10 displayed the high crystallinity with reduced crystal water and demonstrated the improved cyclic stability (99.0 % capacity retention after 350 cycles) over the sample without chelating agent involving. (56.2% capacity retention after 250 cycles) Finally, a K+/H+ hybrid ion aqueous alkaline battery was built by Ni3Zn1HCF-10 cathode and active carbon anode. The constructed full cell delivered a capacity of 44.8 mAh g-1 with 1.6 V operational voltage. Further, it had excellent rate capability and low self-discharge along with good stability (99.6% capacity retention after 500 cycles). This work expands a great strategy for aqueous rechargeable alkaline batteries.

CAS / MDL: 7446-20-0 6018-89-9
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PHYSICS AND CHEMISTRY OF LIQUIDS · 2024 · IF 1.2

Volumetric properties of CO2-loaded and unloaded 3-amino-1- propanol/1-amino-2-propanol/3-dimethylamino-1-propanol + N, N-dimethylacetamide binary mixture at (288.15 to 323.15) K and 101 kPa

Shuting Wang,Xueli Zhou,Qingyuan Song,Yuhuan Chen,Fang Yang

In this work, the densities of CO2-loaded and unloaded alkanolamine (1) + N, N-dimethylacetamide (DMAC) (2) mixtures were determined at temperature of (288.15 to 323.15) K and 101 kPa. The alkanolamines were primary amines, 3-amino-1-propanol (3A1P) and 1-amino-2-propanol (1A2P), and tertiary amine, 3-dimethylamino-1-propanol (3DMA1P). There CO2-unloaded 3A1P/1A2P/3DMA1P + DMAC binary systems with the whole concentration and two CO2-loaded 3A1P/1A2P + DMAC systems with alkanolamine mass fraction of (0.2, 0.3 and 0.4) were investigated. Based on the density values of CO2-unloaded binary systems, the thermal expansion coefficient (αp), excess molar volume (VmE), and apparent molar volume (Vφ,i) were calculated and discussed in terms of intermolecular interactions and spatial structure. The VmE values were positive under the studied conditions and increased with the temperature, and the maximum followed the decreasing order of 1A2P + DMAC > 3DMA1P + DMAC > 3A1P + DMAC. Additionally, the VmE data were well fitted with the Redlich-Kister equation with a small standard deviation (σ ≤ 0.024). For the CO2-loaded systems, the density values were correlated with temperature and concentration using different empirical equations, and the average relative deviations (ARD%) were less than 0.299%.

CAS / MDL: 7223-38-3
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JOURNAL OF CHEMICAL THERMODYNAMICS · 2022 · IF 3.269

Surface tension measurements and modelling of n-Hexadecane + n-Dodecane, n-Hexadecane + 2,2,4,4,6,8,8-Heptamethylnonane, n-Hexadecane + n-Octacosane and n-Hexadecane + Squalane binary mixtures between (303 and 573) K by pendant drop method

Jian Yang,Jiangtao Wu

This work contributes to the experimental measurements and modelling of the surface tension for the medium- to long-chained hydrocarbon mixtures involved in the Fischer-Tropsch process under the high-temperature conditions. For this purpose, the experimental surface tension measurements for the four investigated binary mixtures of n -Hexadecane with n -Dodecane, 2,2,4,4,6,8,8-Heptamethylnonane, n -Octacosane and Squalane were performed by pendant drop method at temperatures up to 573.15 K covering the mass fractions of w n -Hexadecane = (0.25, 0.50 and 0.75). The combined expanded uncertainties of temperature, mole fraction and surface tension with a level of confidence of 0.95 ( k  = 2) are estimated to be 20 mK, within 0.6% and less than 2.2% over the entire temperature, respectively. On the basis of the surface tension correlations of pure substances in our previous study, the experimental surface tension data of the four investigated binary mixtures were correlated with the three-parameter Jouyban − Acree model and two-parameter Fu-Li-Wang (FLW) model. However, the experimental results show increasing negative deviations from Jouyban − Acree model with maximum values up to −2.66% and increasing positive deviations from FLW model with maximum values up to 9.93% in the high temperature zone. Therefore, we proposed a new model for correlating the surface tension of multicomponent mixtures with excellent reproducibility. The relative deviations of the experimental data from the present model are distributed evenly on both sides of the zero line and the relative absolute deviations are within 0.6%.

CAS / MDL: 112-40-3 93685-81-5
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JOURNAL OF CHEMICAL AND ENGINEERING DATA · 2023 · IF 2.6

Measurement of the Thermal Conductivities of Methyl 2-Methyl-3-nitrobenzoate + Acetonitrile, N-Bromosuccinimide + Acetonitrile, and Methyl 2-Methyl-3-nitrobenzoate + N-Bromosuccinimide + Acetonitrile in the Temperature Range from 300 to 340 K

Cheng Xie,Fuyi Sun,Xunke Zhao,Cui Wu,Yuanyuan Che

A transient hot-wire method was used in this work to measure the thermal conductivities of methyl 2-methyl-3-nitrobenzoate (MMN) + acetonitrile, N-bromosuccinimide (NBS) + acetonitrile, and MMN + NBS + acetonitrile in the temperature range of T = (300–340) K. For binary systems, measurements were made for the mass fractions of MMN (ω1) range from 0 to 0.45 and the mass fractions of NBS (ω2) range from 0 to 0.30. For the ternary system, measurements were carried out with the ω1 + ω2 range from 0 to 0.45. The expanded uncertainties of the experimental data were estimated to be 2%, while the confidence level was 0.95 (k = 2). The experimental data were correlated as a function of the mass fraction and temperature using a linear thermal conductivity model. The maximum absolute relative deviation between the experimental values and the calculated results from the fitting model were 0.60, 0.16, and 1.30%.

CAS / MDL: 128-08-5
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JOURNAL OF CHEMICAL THERMODYNAMICS · 2016 · IF 2.196

Solubility of RbCl and CsCl in pure water at subzero temperatures, heat capacity of RbCl(aq) and CsCl(aq) at T = 298.15 K, and thermodynamic modeling of RbCl + H2O and CsCl + H2O systems

Dandan Gao,Dongdong Li,Wu Li

Solubility of RbCl(cr) and CsCl(cr) in pure water were determined at subzero temperatures. The solubility of RbCl(cr) and CsCl(cr) decreased with temperature increment. Specific heat capacity of RbCl(aq) and CsCl(aq) solutions were determined at 298.15   K and concentration to near saturation. The specific heat capacity of RbCl(aq) and CsCl(aq) solutions decreased with concentration increment and for the same molality the specific heat capacity of CsCl(aq) is smaller than that of RbCl(aq). A temperature dependent thermodynamic model based on the Pitzer-Simonson-Clegg activity coefficient equations was used to represent the activity, thermal and solid-liquid equilibria properties of RbCl   +   H 2 O and CsCl   +   H 2 O systems. The obtained models can reproduce and predict the thermodynamic properties and phase diagram of the two binary systems well for the temperature range from 200   K to 370   K. The present models have an advantage especially at subzero temperatures due to the utilization of low temperature solubility experimental data in parameterization.

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HYDROMETALLURGY · 2025 · IF 5.3

Dissolution and recrystallization of alum to separate cesium, rubidium and potassium using their different precipitation kinetics to reach higher purity than solubility equilibria based purity of MAl(SO4)2 (M = Cs, Rb, K)

Yanfei Fan,Dandan Gao,Dongdong Li,Dewen Zeng

Alum is an important intermediate for the extraction and purification of Cs or Rb chemicals, due to its excellent separation ability for Cs, Rb and K. Although the solubility sequence K-alum > Rb-alum > Cs-alum has been well known, the separation factors among Cs, Rb and K during the formation of alum have not been determined. The formation of solid solution of alum controls the Cs or Rb content and Cs/Rb/K ratio in the sequentially precipitated Cs, Rb and K alums. In this study, the thermodynamic equilibrium separation factors were determined from the solid solution-aqueous solution equilibrium data of the two mixed alum systems: (i) RbAl(SO 4 ) 2 , CsAl(SO 4 ) 2 , and H 2 O, and (ii) KAl(SO 4 ) 2 , RbAl(SO 4 ) 2 and H 2 O. The separation factor β Cs/Rb varied from 48 to 2 with the increase of the Rb/Cs ratio in system (i), and β Rb/K varied from 22 to 0.2 with the increase of the K/Rb ratio in system (ii). This suggests that the purification of Cs or Rb using alums is more efficient from raw materials containing high Cs/Rb or Rb/K ratio than that from low Cs/Rb or Rb/K ratio. In kinetic studies, the apparent separation factors β Cs/Rb and β Rb/K were highly affected by the recrystallization process of cooling or non-cooling and the initial composition of raw alum, showing asymmetric kinetic intensification. The separation factors β Cs/Rb or β Rb/K obtained in the “dissolution by heating and crystallization by cooling (DHCC)” process for the raw alum with high initial Cs/Rb or Rb/K molar ratio is several times larger than the equilibrium value expected from thermodynamics. Finally, CsAl(SO 4 ) 2 and RbAl(SO 4 ) 2 with a metal-based purity of 99.97 % and 99.94 %, respectively, were obtained by using the DHCC process 3–4 times.

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JOURNAL OF CHEMICAL AND ENGINEERING DATA · 2014 · IF 2.045

Experimental and Modeling Studies on the Densities of Aqueous Solutions of 1-Carboxymethyl-3-methylimidazolium Chloride, 1-Carboxymethyl-3-propylimidazolium Chloride, and 1-(2-Hydroxylethyl)-3-propylimidazolium Chloride at (293.15, 298.15, and 303.15) K

Yu Sun,Yu-Feng Hu,Chao Miao,Zhen-Yu Yang,Chen-Chen Jiang,Xiao-Ming Peng,Yu-Fei Chen

The densities of the binary aqueous solutions of 1-carboxymethyl-3-methylimidazolium chloride ([HOOCMMIm]Cl), 1-carboxymethyl-3-propylimidazolium chloride ([HOOCMPIm]Cl), 1-(2-hydroxylethyl)-3-propylimidazolium chloride ([HOEtPIm]Cl), and the ternary solutions [HOOCMMIm]Cl + [HOOCMPIm]Cl + H2O, [HOEtPIm]Cl + [HOOCMPIm]Cl + H2O, and [HOEtPIm]Cl + [HOOCMMIm]Cl + H2O have been measured at (293.15, 298.15, and 303.15) K, respectively. The densities of the examined ternary solutions have been predicted by the equation of Patwardhan and Kumar established for the density of aqueous electrolyte solutions. The predictions were not very satisfactory probably due to the presence of the functional group −COOH. The coupling of the Patwardhan and Kumar’s equation and the rule of Young and Smith considerably improves the predictions, and the predicted results show excellent agreements with the experimental results.

研究领域: 物理化学 · 化学工程 · 热力学 · 离子液体 · 溶液化学
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JOURNAL OF CHEMICAL AND ENGINEERING DATA · 2017 · IF 2.323

Measurement and Correlation of Liquid–Liquid Equilibria for the Ternary Systems of Water + d-Fructose + 1-Butanol, Water + d-Glucose + 1-Butanol, and Water + d-Galactose + 1-Butanol at (288.2, 303.2 and 318.2) K

Tiantian Ye,Haibin Qu,Xingchu Gong

The liquid–liquid equilibrium (LLE) data of ternary systems of water + d-fructose + 1-butanol, water + d-glucose + 1-butanol, and water + d-galactose + 1-butanol were determined at three temperatures (288.2, 303.2, and 318.2 K) and atmospheric condition. The distribution coefficients of the monosaccharides were lower than 0.05. For all the three saccharides, their content in the organic-rich phase increased as their content in the aqueous phase increased. The experimental tie-line data were fitted using the Othmer–Tobias equation. The saccharide universal quasichemical functional-group activity coefficient (S-UNIFAC) model was used to predict the LLE data with all the average absolute deviations (AAD) values higher than 0.013. The modified universal quasichemical model was then used to correlate the LLE data. The correlation results agreed better with experimental data than the prediction results obtained with S-UNIFAC. In the production of traditional Chinese medicines, 1-butanol is a promising extractant used to separate active compounds and saccharides in aqueous herbal extracts.

CAS / MDL: 57-48-7
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