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JOURNAL OF CHEMICAL AND ENGINEERING DATA · 2019 · IF 2.298

Liquid–Liquid Equilibria for Ternary Systems n-Hexane + 1-Hexene + Furfural (or N,N-Dimethylformamide) at 298.2, 308.2, and 318.2 K

Wenyang Fan,Houchun Yan,Xin Huang,Zhaohui Liao,Qingsong Li,Zhanhua Ma

The liquid–liquid equilibrium (LLE) data of ternary systems n-hexane + 1-hexene + solvents (furfural and N,N-dimethylformamide) were determined experimentally at 298.2, 308.2, and 318.2 K under 101.3 kPa. The solvents’ extraction capacity was assessed by the solute distribution coefficient and selectivity. Othmer-Tobias and Hand equations were used to correlate the measured data to test the correlation of the experimental data, which the linear correlation is (R2) ≥ 0.99. Experimental LLE data was correlated utilizing the NRTL and UNIQUAC thermodynamic models with all of the RMSD and AARD values below 0.01 meaning that each ternary system satisfactory agreement at temperatures studied and the NRTL model gives a better agreement than the UNIQUAC model for ternary systems.

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JOURNAL OF CHEMICAL AND ENGINEERING DATA · 2023 · IF 2.6

Measuring and Modeling the Density of Some Typical Binary Mixtures in the Conditions of 280–423.15 K and 0.1–9 MPa

Jiale Wang,Guang Yao,Dong Hu,Sheng Huang,Junqi Liu,Quan Zhu

In order to investigate the interactive effect on the density of two-component mixtures, six mixtures of methylcyclohexane(1) + n-dodecane(2)/n-tetradecane(2)/n-hexadecane(2) and ethylcyclohexane(1) + n-dodecane(2)/n-tetradecane(2)/n-hexadecane(2) were measured by using the Anton Paar DMA 4200 M densimeter and a hand-operated pressure pump in the temperature and pressure ranges of T = 280 to 423.15 K and P = 0.1 to 9 MPa, respectively. Additionally, the combined standard uncertainty in the density of binary mixtures with n-hexadecane is uc(ρ) = 1.543 kg/m3, and for other mixtures, it is uc(ρ) = 1.541 kg/m3. The experimental data were successfully correlated with the empirically modified Toscani–Szwarc equation of state with a maximum regression deviation of less than 1.0630 kg/m3 for all the binary mixtures. On the basis of the experimental data and parameters of the regression model, isobaric thermal expansivity and isothermal compressibility were calculated and exhibited nonlinear behavior against the mole fraction, which is due to different molecular interactions between the two components.

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JOURNAL OF CHEMICAL AND ENGINEERING DATA · 2023 · IF 2.6

Viscosity Measurements for n-Octane, Ethylcyclohexane, and Their Binary Mixtures from 283 to 363 K at Pressures up to 20 MPa

Weichao Qin,Zenghui Li,Xinzi Zhou,Xiaolu Zhang,Xianyang Meng,Jiangtao Wu

Viscosity measurements for n-octane, ethylcyclohexane, and their binary mixtures were performed by using a vibrating-wire viscometer at temperatures between 283.15 and 363.15 K and pressures from 0.1 to 20 MPa. The combined expanded uncertainty (k = 2) of the experimental results is better than 0.02. The extended hard-sphere model was used to correlate the experimental results, and the relative deviations between the experimental data and calculated results were mostly within 1%. Moreover, the viscosity models of pure hydrocarbons combined with the mixing rules were applied to predict the viscosities of these binary mixtures. It is found that the deviations of the predicted results and the experimental viscosity data are generally within 4%.

CAS / MDL: 111-65-9
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JOURNAL OF CHEMICAL AND ENGINEERING DATA · 2023 · IF 2.6

Liquid–Liquid Equilibrium Measurement and Thermodynamic Modeling for Ternary Systems of 1,3-Propanediol + 2-Propyl-1-heptanol + Extractants at 298.2 K

Jiajun Wei,Lingxiao Yi,Wang Yuxin,Erkang Li,Zhen Yujie,Fangyu Zhang,Xinlei Niu,Jinshan Wang,Deming Zhao,Yingmin Yu

Liquid–liquid equilibrium (LLE) measurements were conducted at a temperature of 298.2 K and a pressure of 101.3 kPa for the ternary system consisting of 1,3-propanediol, 2-propyl-1-heptanol, and various extractants (n-hexane, vinyl acetate, ethyl benzene, and water). By calculating the distribution constant (D) and selectivity (S) in each system, the ability of four extractants to separate the mixture of 1,3-propanediol and 2-propyl-1-heptanol was compared. Furthermore, the LLE data underwent regression using thermodynamic models NRTL and UNIQUAC. The degree of deviation between the experimental data and regression data was assessed using the root mean square deviation (RMSD) and the average absolute deviation (AAD). The RMSD values for the NRTL and UNIQUAC models were below 0.74 and 0.76%, respectively, with corresponding AAD values below 0.39 and 0.60%. These results indicate a robust concurrence between the experimental data and the outcomes of the regression analysis. Finally, the GUI-MATLAB tool was employed to validate the coherence of the experimental data with the regression parameters. σ-Profiles are used to discuss the interactions of substances in this work. The results showed that the D and S of all four systems were greater than 1, indicating that all four extractants were effective in separating 1,3-propanediol and 2-propyl-1-heptanol. The order of their extraction capacity was water ≥ hexane ≥ ethyl benzene ≥ vinyl acetate.

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JOURNAL OF SOLUTION CHEMISTRY · 2019 ·Vol. 48 ·期 1 ·82-103 · IF 1.039

Volumetric and Optical Properties of Dimethylvinylethoxysilane with n-Alkanes (C7 to C10) at Temperatures in the Range (298.15 to 318.15) K

Jin Jing,Shao Fangjun,Dong Hong,Wu Chuan

Densities and refractive indices are investigated for four binary mixture systems of dimethylvinylethoxysilane with n -heptane, n -octane, n -nonane and n -decane at different temperatures (298.15, 303.15, 308.15, 313.15 and 318.15 K) and atmospheric pressure. From these experimental data, the excess molar volume, isobaric coefficient of thermal expansion, deviation in refractive index, molar refraction, and deviation in the molar refraction have been calculated. The computed quantities have been fitted with the Redlich–Kister equation to derive the coefficients and estimate the standard deviations. The values of the partial excess volume at infinite dilution were calculated using the coefficients of the Redlich–Kister smoothing equation. The effects of composition and temperature on these properties are discussed.

CAS / MDL: 111-84-2
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FOOD HYDROCOLLOIDS · 2019 · IF 5.839

Gelation and microstructural properties of protein hydrolysates from trypsin-treated male gonad of scallop (Patinopecten yessoensis) modified by κ-Carrageenan/K+

Jia-Nan Yan,Wen-Hui Shang,Jun Zhao,Jia-Run Han,Wen-Gang Jin,Hai-Tao Wang,Yi-Nan Du,Hai-Tao Wu,Srinivas Janaswamy,Youling L. Xiong,Bei-Wei Zhu

This article reported the gelation and microstructural properties of scallop male gonads hydrolysates (SMGHs) in the presence of κ-Carrageenan (κ-C) and treated or untreated with potassium chloride (KCl). The presence of κ-C significantly increased the elastic moduli (10.3–449.5 Pa) and melting temperature (32.7–46.7 °C) of SMGHs. The decrease in the relaxation time ( T 21 , T 23 ) signified the strong binding between SMGHs and κ-C. The blue shift in the amide I and II peals coupled with a new band of 1159 cm −1 in SMGHs/κ-C further demonstrated the electrostatic interactions between SMGHs and κ-C. κ-C rose the percentage of β-sheets from 28.10% to 35.93% but at the expense of α-helix and β-turn fractions and highly ebbed the intrinsic fluorescence of SMGHs. Such scenarios resulted in a more compact network formation and flocculation of κ-C chains. The salt-treatment to κ-C promoted helical formation, however, presence of SMGHs created larger interstitial spaces in the κ-C network due to aggregates of SMGHs and decreased the overall gel strength. The outcome promises novel opportunities in the design and development of functional hydrogels based on protein and polysaccharide complexes for food , pharmaceutical and biomedical applications.

CAS / MDL: 11114-20-8
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JOURNAL OF CHEMICAL AND ENGINEERING DATA · 2019 · IF 2.298

Measurement of the Thermal Conductivity of 1-Butyl-3-methylimidazolium l-Tryptophan + Water + Ethanol Mixtures at T = (283.15 to 333.15) K

Xing Cui,Hai Zhu,Chao-Hong He,Ke-Jun Wu

The thermal conductivities of 1-butyl-3-methylimidazolium l-tryptophan ([BMIM][l-trp]), water, ethanol, [BMIM][l-trp] + water, [BMIM][l-trp] + ethanol, water + ethanol, and [BMIM][l-trp] + water + ethanol were investigated from 283.15 to 333.15 K covering the whole scale of concentration at atmospheric pressure with the transient hot wire method. The thermal conductivities of pure [BMIM][l-trp] decease linearly from 0.180 to 0.177 W·m–1·K–1 with increasing temperature. The uncertainty of the measurement was less than 2% at the 0.95 confidence level. The experimental data of binary and ternary mixtures were correlated by a second-order Scheffé polynomial as a function of composition and temperature. The average relative deviation of the calculated values with experimental data was 0.58%.

CAS / MDL: 64-17-5
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JOURNAL OF CHEMICAL THERMODYNAMICS · 2019 · IF 2.29

Volumetric and viscometric properties of binary and ternary mixtures of monoethanolamine, 2-(diethylamino) ethanol and water from (293.15 to 333.15) K

Daofan Ma,Chunying Zhu,Taotao Fu,Xigang Yuan,Youguang Ma

The densities and viscosities of binary mixtures monoethanolamine (MEA) + H 2 O, 2-(Diethylamino)ethanol (DEEA) + H 2 O, MEA + DEEA and ternary mixtures MEA + DEEA + H 2 O were measured over the entire composition at temperatures ranging from (293.15 to 333.15) K and atmospheric pressure. The volumetric and viscometric properties such as excess molar volume, partial molar volume, partial molar volume at infinite dilution, apparent molar volume, viscosity deviation, molar enthalpy, molar entropy and the molar Gibbs energy of activation for viscous flow of mixtures were calculated in terms of experimental data, respectively. Furthermore, excess molar volumes were fitted by the Redlich–Kister equation for binary mixture and by Cibulka equation for ternary solution. The volumetric and viscometric properties were analyzed through the molecular structure and intermolecular interactions.

CAS / MDL: 100-37-8 141-43-5
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JOURNAL OF CHEMICAL AND ENGINEERING DATA · 2018 · IF 2.196

Solid–Liquid Phase Equilibria of the Ternary System (2-Naphthaldehyde + 4-Methylphthalic Anhydride + Ethyl Acetate) at (288.15, 298.15, and 308.15) K

Xiaoqiang Gao,Fang Zhang,Yi Yu,Yonghui Dou,Li Xu,Guoji Liu

The solubility of 2-naphthaldehyde (2-NA) and 4-methylphthalic anhydride (4-MA) in ethyl acetate at temperatures from 283.15 to 313.15 K and solid–liquid equilibrium of ternary (2-NA + 4-MA + ethyl acetate) system at temperatures of (288.15, 298.15, and 308.15) K were measured under pressure of 101.3 kPa. Three isothermal phase diagrams were plotted according to the ternary solubility data. For the ternary system, two pure 2-NA and 4-MA solids were formed at each temperature and determined by the wet residue method of Schreinemaker. The crystalline region of 2-NA decreases with the increase in temperature, and 4-MA is just the opposite. The crystallization region of 2-NA was found to be smaller than that of 4-MA. The solubility data of the system were correlated and calculated by NRTL and Wilson models. The results show that the NRTL model agrees well with the experimental data compared with the Wilson model. Furthermore, the densities of equilibrium solutions were determined at the corresponding temperatures.

CAS / MDL: 7631-99-4
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JOURNAL OF CHEMICAL AND ENGINEERING DATA · 2018 · IF 2.196

Liquid–Liquid Equilibria for Systems of Ethanol + Hexanol + Heptanol + Decane + Undecane + Water at 298.15 K under Atmospheric Pressure: Experiment and Simulation

Shenfeng Yuan,Shengqiao Li,Hong Yin,Zhirong Chen

The experimental liquid–liquid equilibrium (LLE) data of the quaternary systems ethanol + hexanol + decane + water, ethanol + hexanol + undecane + water, ethanol + heptanol + decane + water, and ethanol + heptanol + undecane + water were collected at 298.15 K under atmospheric pressure. The UNIQUAC model was used to regress the quaternary systems and acquire the binary interaction parameter, which was used to predict the LLE data of the six-component system. The predicted LLE data were compared with the experimental data, and the results showed they were in good agreement, which indicated that the binary interaction parameters acquired from the quaternary systems could predict the LLE data of the six-component system. The distribution coefficient and the selectivity showed that 65% ethanol aqueous solution was suitable for separating hexanol and heptanol from the hexanol–heptanol–decane–undecane mixture.

CAS / MDL: 111-27-3 1120-21-4
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JOURNAL OF CHEMICAL AND ENGINEERING DATA · 2018 · IF 2.196

Liquid–Liquid Equilibrium for Ternary Systems, Water + 5-Hydroxymethylfurfural + (1-Butanol, Isobutanol, Methyl Isobutyl Ketone), at 313.15, 323.15, and 333.15 K

Yongzhao Zhang,Xia Guo,Jian Xu,Yuxiang Wu,Meizhen Lu

Liquid–liquid equilibrium (LLE) data was very important for the process design and optimization of 5-hydroxymethylfurfural (5-HMF) production. To provide this fundamental data, experimental liquid–liquid equilibrium data for ternary systems, {water + 5-HMF + 1-butanol}, {water + 5-HMF + isobutanol}, and {water + 5-HMF + methyl isobutyl ketone}, were measured at 313.15, 323.15, and 333.15 K. Partition coefficients were used to assess the extraction capacity of organic solvents in the biphasic systems. 1-Butanol and isobutanol were desirable extractants with good extraction performance and environmental benign properties. The NRTL model was used to correlate the experimental data and the binary interaction parameters were obtained. The average relative deviation was lower than 10%.

CAS / MDL: 67-47-0 78-83-1
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JOURNAL OF CHEMICAL AND ENGINEERING DATA · 2019 · IF 2.298

Solubility and Liquid–Liquid Equilibria for the Isopropyl Acetate + Isopropanol + Acetic Acid + Water Quaternary System at 313.15 K and 101.3 kPa

Peng Fang,Jia Wang,Zuoxiang Zeng,Weilan Xue

Liquid–liquid equilibrium (LLE) and solubility data for the quaternary system isopropyl acetate + isopropanol + acetic acid + water and for the ternary systems isopropyl acetate + isopropanol + water and isopropyl acetate + acetic acid + water were studied at 313.15 K under 101.3 kPa. Five quaternary systems with different mole ratios of acetic acid to isopropanol were studied. The Othmer–Tobias and Bachman methods were used to correlate the tie-line data. The experimental LLE data were regressed by the NRTL thermodynamic model, indicating the experimental and the calculated data have a good correlation, with a standard deviation less than 1.42%.

CAS / MDL: 64-19-7 67-63-0
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