JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2013
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IF 2.004
Shuhan Chen,Zongbi Bao,Zhengzhang Lü,Yiwen Yang,Weiguo Xu,Zhongmin Chen,Qilong Ren,Baogen Su,Huabin Xing
Vapor–liquid equilibrium (VLE) data for binary mixture of sulfuryl chloride and 1,1,1-trifluorotrichloroethane at atmospheric pressure were measured with a double-phase circulation still. The experimental VLE data were correlated well with the Wilson, the nonrandom two-liquid (NRTL), and the universal quasichemical activity coefficient (UNIQUAC) models, respectively. From the correlation results, it is revealed that there is no azeotrope presented in the binary system. All of the experimental VLE data passed the thermodynamic consistency tests performed by the Herington and the Van Ness methods.
研究领域:
化学工程
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热力学
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产品关联
DOI
高影响因子
JOURNAL OF MOLECULAR LIQUIDS
·
2020
·
IF 5.065
Renren Sun,Yueru Wang,Haixia He,Yameng Wan,Liyuan Li,Jiao Sha,Gaoliang Jiang,Yu Li,Tao Li,Baozeng Ren
Solubility of melatonin in twelve mono-solvents including seven alcohols {methanol (MT), ethanol (ET), n -propanol ( n -PrA), n -butanol ( n -BT), i -butanol ( i -BT), n -pentanol ( n -PT) and n-hexanol ( n -HeA)} and five esters {methyl acetate (MeAC), ethyl acetate (EtAC), n -propyl acetate ( n -PrAC), n -butyl acetate ( n -BtAC) and n -pentyl acetate ( n -PtAC)} was determined by laser monitoring approach from 278.15 K to 323.15 K under 0.1 MPa. The experimental results indicate that the mole solubility of melatonin shows a positive relation with temperature variation. The solubility of melatonin in the twelve pure solvents at 298.15 K has order: MT (0.03570) > ET (0.02536) > n -PrA (0.01965) > n -BT (0.01524) > n -PT (0.01450) > i -BT (0.01267) > n -HeA (0.01136) > MeAC (0.008498) > EtAC (0.006587) > n -PrAC (0.004280) > n -BtAC (0.003410) > n -PtAC (0.02990). Moreover, the miscibility behavior of melatonin was further analyzed by the Hansen solubility parameter (HSP). The solvent effect of melatonin in tested pure solvents was investigated by using the KAT-LSER model. The four thermodynamic models including two-Suffix Margules, NRTL, NRTL-SAC and UNIQUAC models were applied to correlate the experimental solubility data of melatonin. Furthermore, the dissolution thermodynamic properties including the apparent standard dissolution enthalpy (Δ dis H o ), the apparent standard dissolution entropy (Δ dis S o ) and the apparent standard Gibbs energy change (Δ dis G o ) of melatonin in investigated solvents were calculated by van't Hoff equation.
研究领域:
药学
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物理化学
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热力学
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材料科学
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DOI
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2018
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IF 2.196
Chunli Li,Siqi Gong,Hao Li
Vapor–liquid equilibrium (VLE) data for the binary system of acetone (1) + hexamethyl disiloxane (HMDSO, 2) and the ternary system of acetone (1) + HMDSO (2) + ethyl acetate (EAC, 3) were obtained at 101.3 kPa. The acetone (1) + HMDSO (2) mixture had azeotropic temperature of 329.00 K, x1,az = 0.9661. The binary VLE values and ternary VLE values were confirmed to be thermodynamically consistent using the Herington method and the McDermott–Ellis method, respectively. The binary VLE data were correlated using the nonrandom two-liquid (NRTL), universal quasichemical activity coefficient (UNIQUAC), and Wilson models, and the NRTL model has the best correlation with the experimental data. Furthermore, the acetone (1) + HMDSO (2) + EAC (3) ternary VLE data were predicted with the NRTL model using the binary interaction parameter obtained by association of the contained binary system, and the calculated data were in good agreement with the ternary experimental data. To further describe the ternary system, the residue curves were provided by Aspen Plus using the NRTL model.
研究领域:
化学工程
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热力学
✓ 已验证
DOI
高影响因子
JOURNAL OF CHEMICAL THERMODYNAMICS
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2019
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IF 2.29
Xuzhao Yang,Jun Wang,Yun Fang
Experimental s olubility of D-(+)-glucose and D-(−)-fructose in three asymmetrical dicationic ionic liquids (DILs), 1-(3-(trimethylammonio)prop-1-yl)-3-methylimidazolium bis(dicyanamide) ([MIMC 3 N 111 ][N(CN) 2 ] 2 ), 1-(3-(trimethylammonio)prop-1-yl)-1-methylpiperidinium bis(dicyanamide) ([MPiC 3 N 111 ][N(CN) 2 ] 2 ) and 1-(3-(trimethylammonio)prop-1-yl)pyridinium bis(dicyanamide) ([PyC 3 N 111 ][N(CN) 2 ] 2 ), was determined through an isothermal technique from 323.15 K to 353.15 K at 0.1 MPa. The solubility of the two sugars in selected DILs increased with elevating temperature and the solubility decreased in the following order: D-(−)-fructose > D-(+)-glucose. The Apelblat, λh , NRTL, Wilson and UINQUAC models were respectively employed to correlate the experimental solubility values with temperature. The thermodynamics of dissolution of D-(+)-glucose and D-(−)-fructose in the studied DILs, enthalpy of dissolution (Δ diss 0 H ), Gibbs energy of dissolution (Δ diss 0 G ) and entropy of dissolution (Δ diss 0 S ), were also evaluated based on the experimental solubility data. The results indicated that enthalpic contributions were dominant in the dissolution process of D-(+)-glucose and D-(−)-fructose in those DILs.
研究领域:
物理化学
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溶液化学
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热力学
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绿色溶剂
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碳水化合物化学
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DOI
高影响因子
JOURNAL OF SOLUTION CHEMISTRY
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2023
·Vol. 52
·期 8
·921-939
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IF 1.2
Guo Qiang,Lin Jinyuan,Yang Pengju,Jiang Yong,Zhang Binchuan,Zhu Longxin,Wang Xunqiu
Isobaric vapor–liquid equilibrium (VLE) data for 2-methylpyridine + 2-vinylpyridine binary systems have been measured using a dynamic circulation device with the pressure points 1.9 kPa, 4.0 kPa, and 5.3 kPa at temperature in the range from 302.8 to 348.5 K. The VLE data passed the thermodynamic consistency test by using L–W method, R–K method and Fredenslund method. The NRTL, Wilson and UNIQUAC models were used to fit the data and binary interaction parameters were obtained for the three models. For these models, the results showed that the calculated values of the model were in good agreement with the experimental values and could, thereby, be used for the design and optimization of distillation.
研究领域:
化学工程
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热力学
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产品关联
DOI
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2022
·
IF 3.119
Hao Li,Fengyi Zhang,Qianlong Zhang,Hongjuan Li,Zhiying Wang,Chunli Li,Jing Fang
For some strongly non-ideal solution systems, there are often errors in predicting the phase equilibrium relationship of a multi-component system using the interaction parameters obtained by the regression of the phase equilibrium data of the binary system. The interaction parameters between the components obtained by directly determining the phase equilibrium of the multivariate system will bring the calculated values closer to the experimental values. Liquid–liquid equilibrium (LLE) data were determined for the system of n-butanol + n-pentanol + n-hexanol + water at 313.15, 323.15, and 333.15K under atmospheric pressure. LLE compositions were determined by gas chromatography. LLE data were correlated by the UNIQUAC model and the non-random two-liquid (NRTL) model. Both models were appropriate for describing the LLE of this quaternary equilibrium system. They provided accurate thermodynamic parameters for the phase equilibrium of C4–6 mixed alcohols in Fischer–Tropsch synthesis water.
研究领域:
化学工程
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热力学
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相平衡建模
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DOI
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2012
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IF 1.693
Jia Kang,Qing Xia,Ling-Xin Wang,Ming-Xing Du,Feng-Bao Zhang,Guo-Liang Zhang
To investigate the effects of NaOH and ethanol on the solubility of disodium decanedioate in water, the solubilities of disodium decanedioate in two aqueous solutions (aqueous NaOH solutions and aqueous ethanol solutions) were determined in a temperature range of (284 to 345) K. The solute-free mole fraction of NaOH and ethanol in the solvent mixtures extended from 0 to 0.084 and 0 to 0.472, respectively. With the increase of the mole fractions of ethanol (or NaOH) in solvent mixtures, the solubilities decreased obviously. Alcohol-out and alkali-out phenomena could be evidently observed, between which the alkali-out effect was more prominent. The determined data were correlated with the new electrolyte nonrandom two-liquid (E-NRTL) model, and the root-mean-square deviations of solubility temperature varied from (0.26 to 0.91) K.
研究领域:
化学
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物理化学
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溶解度研究
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产品关联
DOI
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2023
·
IF 2.6
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.
研究领域:
化学工程
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热力学
✓ 已验证
产品关联
DOI
高影响因子
FLUID PHASE EQUILIBRIA
·
2019
·
IF 2.514
Yameng Wan,Haixia He,Pengshuai Zhang,Rui Zhao,Jiao Sha,Tao Li,Baozeng Ren
Mole-fraction solubility of 5-norbornene-2,3-dicarboximide (NODI) in eleven solvents including methanol (MtOH), ethanol (EtOH), 2-ethoxyethanol, methyl acetate (MAC), ethyl acetate (EAC), n-propyl acetate (NPAC), isopropyl acetate (IPAC), n-butyl acetate (NBAC), acetone (DMK), N,N-dimethylformamide (DMF) at (278.15–323.15) K and 1,4-dioxane at (288.15–323.15) K was experimentally measured by laser monitoring technique under 0.1 MPa. Solubility of NODI increased with the increasing temperature. Hansen Solubility Parameter was employed to explain the solubility behavior. The Kamlet-Taft parameters were calculated to investigate the solvent effect based on linear solvation energy relationships concept. Thermodynamic modeling including the Two-Suffix Margules model, Wilson model, NRTL model, NRTL-SAC model and UNIQUAC model were employed to correlate the experimental solubility. Wilson model and NRTL-SAC model were more suitable in correlation with solubility data. Furthermore, thermodynamic properties of mixing process (Δ mix G , Δ mix H , Δ mix S , ln γ 1 ∞ , H 1 E,∞ , ζ TS and ζ H ) were discussed based on Wilson equation.
研究领域:
化学工程
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物理化学
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热力学
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DOI
高影响因子
JOURNAL OF CHEMICAL THERMODYNAMICS
·
2016
·
IF 2.196
Yi Yu,Fang Zhang,Xiaoqiang Gao,Li Xu,Guoji Liu
In this research, solid-liquid equilibrium for the ternary system (2-naphthaldehyde + o -phthalic anhydride + 1,4-dioxane) was measured at 283.15 K, 293.15 K and 303.15 K, respectively. Three isothermal phase diagrams of the system were plotted using the values of the experimental solubility. Pure 2-naphthaldehyde and o -phthalic anhydride were formed at (283.15, 293.15 and 303.15) K, and were determined by Schreinemaker’s wet residue method. The crystallization region of o -phthalic anhydride was found to be much larger than that of 2-naphthaldehyde at a certain temperature. The experimental solubility at multiple temperatures was correlated by the NRTL and Wilson models. The NRTL model was more accurate than the Wilson model in this system. The diagram of density versus component was also constructed.
研究领域:
化学
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物理化学
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DOI
高影响因子
JOURNAL OF MOLECULAR LIQUIDS
·
2018
·
IF 4.513
Huanxin Li,Xiaoqiang Gao,Yonghui Dou,Li Xu,Guoji Liu
The ternary systems of {(1-butanol or 1-pentanol) + (−)-trans-Cyclohexane-1,2-diamine + water} at (298.2–318.2) K under 100.02 kPa in terms of liquid-liquid equilibrium were investigated. The solubility data of each system were obtained by using cloud point method. For evaluation of extraction ability of the solvents used in this work, the distribution coefficients and separation factors were calculated and 1-pentanol was demonstrated to be very suitable. Besides, Othmer-Tobias and Hand correlation equations were applied to check the consistency of the tie-line data. Furthermore, NRTL and UNIQUAC models were used to correlate the experimental data with all the RMSD values less than 2.57%.
研究领域:
化学工程
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物理化学
✓ 已验证
产品关联
DOI
高影响因子
FLUID PHASE EQUILIBRIA
·
2019
·
IF 2.514
Yujiao Xie,Fangyong Yu,Yong Wang,Xianglei He,Shengren Zhou,Hongyou Cui
Salts strongly affect the phase equilibria of aqueous systems in biotechnological processes. In this work, the influence of salt on the performance of extracting 5-hydroxymethylfurfural (HMF) from aqueous media using tetrahydrofuran (THF) was investigated. The liquid–liquid equilibria (LLE) of ternary (THF/water/MCl, M = Li, Na or K) and quaternary (THF/water/HMF/MCl) systems were determined at 303.15 K and atmospheric pressure. The salting-out effects of LiCl, NaCl , and KCl were studied at different concentrations within their solubility limits. From the experimental LLE of the THF/water/MCl, it was found that THF was salted out from the aqueous phase upon addition of salt. Based on the LLE of THF/water/HMF/MCl, the partition coefficient of HMF and selectivity were determined. Finally, the experimental equilibrium data of the quaternary systems were correlated via the nonrandom two-liquid (NRTL) model, and the calculation results showed good agreement with the experimental data.
研究领域:
化学工程
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生物技术
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物理化学
✓ 已验证
产品关联
DOI
高影响因子
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