JOURNAL OF CHEMICAL THERMODYNAMICS
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2022
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IF 3.269
Wenyang Fan,Yuanyuan Han,Houchun Yan,Dongmei Xu,Huiwen Huang,Yinglong Wang
To recover isopropanol from its aqueous solution, alkanols (1-pentanol, 1-hexanol and 1-heptanol) were selected as the solvents to separate water and isopropanol. Liquid-liquid equilibrium data for water + isopropanol + 1-pentanol/1-hexanol/1-heptanol ternary systems were measured at 298.15 K under 101.3 kPa. The mass conservation of the experimental data was checked, and the reliability of the tie-lie data were evaluated by the Bachman, Hand and Othmer-Tobias equations. The extraction performance of the three solvents was assessed through the separation factor and partition coefficient, and compared with those for other reported solvents {esters, ketones, ethers, alkanes (or alkenes), ionic liquids and deep eutectic solvents}, indicating that 1-heptanol has better extraction performance for isopropanol compared with other two solvents. The NRTL and UNIQUAC models were used to correlate the data to obtain regression parameters. The mixed surface analysis based on Gibbs energy topology verified that the binary interaction parameters are consistent with the measured data. Furthermore, the LLE binodal curve for the researched ternary systems were predicted through the UNIFAC and COSMO-UNIFAC models.
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高影响因子
FLUID PHASE EQUILIBRIA
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2021
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IF 2.775
Junshuai Chen,Hongwei Xing,Taotao Zhan,Libin Chen,Maogang He,Ying Zhang
Ethanol is a common industrial substance and widely applied in technological and scientific applications, of which the thermophysical properties especially near the critical point are scarce. In this work, the thermal diffusivity of ethanol was determined by the dynamic light scattering method in the temperature ranging from (293 to 564) K and along six isobaric lines including 0.1, 2.5, 5, 6.2, 7.5 and 10 MPa. The relative uncertainty of the thermal diffusivity experimental system is estimated to be less than 2.6% for coverage factor of k = 2 with the level of confidence 0.95. The variation of thermal diffusivity with the temperature and pressure was analyzed. In addition, the comparison between the experimental data and the calculated values from thermal conductivity was made, and the absolute average of relative deviation (AARD) between them is 0.96%.
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高影响因子
JOURNAL OF MOLECULAR LIQUIDS
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2021
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IF 6.165
Zelalem Anja Zema,Tingting Chen,Hegang Shu,Yingjie Xu
To reveal the effects of the alkyl substitutions at alpha (α) or beta (β) position adjacent to amino group of primary alkanolamine ligands on CO 2 absorption and physicochemical properties of metal chelated dual functional ionic liquids (DFILs), four DFILs were prepared by reacting potassium imidazole salt (KIm) with alkanolamine ligands, including 2-amino-2-methyl-1-propanol (AMP), 2-amino-1-butanol (AMB), DL-1-amino-2-propanol (DLAMP), and monoethanolamine (MEA). CO 2 absorption behavior and mechanism of DFILs were studied, and density ( ρ ), speed of sound ( u ), and viscosity ( η ) of DFILs were measured to correlate with the CO 2 absorption performance. DFT calculations were employed to explore the influence of the interactions between K + and alkanolamine on the CO 2 absorption and physicochemical properties of DFILs. The results show that CO 2 capacity at 333.2 K is as follows: [K(AMP) 2 ][Im] > [K(AMB) 2 ][Im] > [K(DLAMP) 2 ][Im] > [K(MEA) 2 ][Im], indicating that the introduction of alkyl group at α or β position of alkanolamines can enhance CO 2 capacity, and the effect of the α position is more significant than the β position. Both ρ and u follow the order: [K(AMP) 2 ][Im] < [K(AMB) 2 ][Im] < [K(DLAMP) 2 ][Im] < [K(MEA) 2 ][Im], while η is in the reverse order. Moreover, the saturated CO 2 capacity of DFILs has an approximately linear relation with the thermal expansion coefficient. DFT calculations show that the presence of the alkyl group at α or β position of alkanolamines reduces the Mulliken charge of N and O atom, thereby weakening the cation coordination interaction between K + with ligand, resulting in the decrease in ρ and u of DFILs. Moreover, the decrease in the Mulliken charge of N and O atom in alkanolamine leads to the increase of chelated cation-[Im] − interaction, thereby increasing η of DFILs. Consequently, [K(AMP) 2 ][Im] exhibits higher CO 2 capacity and good reversibility, due to the fact that CO 2 can react with the chelated cation and [Im] – simultaneously. The present study provides a new method for effectively regulating the performance of DFILs.
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高影响因子
JOURNAL OF CHEMICAL THERMODYNAMICS
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2021
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IF 3.178
Xiaoqin Shi,Yu Dong,Shufeng Shen
Nonaqueous blends of alkanolamines with 2-alkoxyethanols have recently attracted much attention for an energy-efficient CO 2 capture process. In this work, densities and viscosities of partially CO 2 -loaded mixtures of 2- (methylamino)ethanol (MAE) with 2-methoxyethanol (EGME), 2-ethoxyethanol (EGEE) and 2-butoxyethanol (EGBE) were measured at atmospheric pressure over the temperature range of (293.15 to 353.15) K with amine mass fractions of (0.10, 0.30 0.40 and 0.50) containing various CO 2 loading. It was observed that both densities and viscosities of the carbonated solutions showed noticeable changes as increasing CO 2 loading, amine concentration and temperature. Dimensionless parameters from the CO 2 -free and CO 2 -loaded property data were fitted by proposed correlations. The calculated values of density and viscosity from the correlation models matched well with the experimental results of MAE + CO 2 + 2-alkoxyethanols, with AARDs within 0.28% and 2.20% for density and viscosity respectively. These results are useful to evaluate the mass transfer and hydrodynamic performance in a CO 2 capture process using these nonaqueous absorbents.
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高影响因子
JOURNAL OF ALLOYS AND COMPOUNDS
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2021
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IF 5.316
Runqing Liu,Hongping Wu,Hongwei Yu,Zhanggui Hu,Jiyang Wang,Yicheng Wu
Four new Bi(III) phosphates, K 6 Bi 13 (PO 4 ) 15 , K 5 Bi(P 2 O 7 ) 2 , and A 5 Bi 5 (PO 4 ) 4 (P 2 O 7 ) 2 (A= K, Rb) with the different condensed P-O groups have been successfully synthesized via the solid-state reactions. The single crystals X-ray diffractions show that they crystallize in the different space groups (K 6 Bi 13 (PO 4 ) 15 : C 2; K 5 Bi(P 2 O 7 ) 2 : P 1 ¯ ; K 5 Bi 5 (PO 4 ) 4 (P 2 O 7 ) 2 and Rb 5 Bi 5 (PO 4 ) 4 (P 2 O 7 ) 2 : P 2 1 / c ). The structure of K 6 Bi 13 (PO 4 ) 15 can be described as a three-dimensional (3D) network composed of the Bi-O polyhedra and PO 4 tetrahedra with K atoms filling in the space to balance the residual charges. K 5 Bi(P 2 O 7 ) 2 features 2D [BiP 4 O 14 ] ∞ layers built by the BiO 6 octahedra and P 2 O 7 dimers and the adjacent [BiP 4 O 14 ] ∞ layers are bridged by the K atoms. A 5 Bi 5 (PO 4 ) 4 (P 2 O 7 ) 2 (A = K, Rb) contain two different condensed P-O groups, PO 4 tetrahedra and P 2 O 7 dimers, which are connected by Bi-O polyhedra to construct the complicated 3D framework with K/Rb atoms located in the tunnels. Note that, the compounds that simultaneously contain two different types of P-O groups are still rare in phosphates. Detailed structural comparisons of Bi 3+ -containing phosphates indicate that the Bi/P ratios have a significant effect on the condensed degrees of PO 4 groups. Furthermore, TG-DSC, IR, UV-Vis-NIR diffuse reflectance spectra and SHG test for title compounds have also been reported.
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高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2021
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IF 2.694
Hui He,Jingxuan Qiu,Haishuang Huang,Ying Guo,Haoyou Liu,Shen Hu,Jiaming Han,Yue Zhao,Peng Wang
The equilibrium solubility of N-benzylglycine in 11 pure solvents (methanol, ethanol, n-propyl alcohol, isopropyl alcohol, n-butyl alcohol, acetone, acetonitrile, dichloromethane, ethyl acetate, 1,4-dioxane, and water) and one binary water + ethanol solvent mixture was measured by a static gravimetric method covering the temperature range of (283.15–323.15) K. The polymorphism of N-benzylglycine was characterized via the powder X-ray diffraction test and the results indicate that no crystal form transition occurred during the dissolution process in all solvents studied. When the solvent composition is constant, the solubility of N-benzylglycine in all neat solvents and solvent mixtures is positively correlated with the experimental temperature. With the increase of the mole fraction of water at a certain temperature, the solubility curve of the binary water + ethanol solvent mixtures shows an inflection point, which may be the result of the synergistic solvation effects. The KAT-LSER model equation was used to analyze the mixed solvent system by multiple linear regression analysis to reveal the interactions between solute–solvent and solvent–solvent. In addition, the modified Apelblat model and the Apelblat–Jouyban–Acree model were utilized to correlate the solubility data.
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高影响因子
JOURNAL OF CHEMICAL THERMODYNAMICS
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2021
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IF 3.178
Hongyue Guo,Hui Li,Wei Wang,Bing Li,Qingsong Li
To separate and purify cyclohexanone from water, in 101.3 kPa, 298.2, 303.2 and 313.2 K, the liquid–liquid equilibrium (LLE) data of the ternary mixture of water + cyclohexanone (CYC) + mesityl oxide were presented. The distribution coefficient (D) and separation factor (S) appraised the utility of extracting cyclohexanone from water. The NRTL and UNIQUAC models successfully correlated the experimental data with RMSD less than 0.29%. The GUI-MATLAB tool was used to verify the good reliability of the regression parameters.
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高影响因子
FOOD CHEMISTRY
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2021
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IF 7.514
Nuo Duan,Qian Li,Xiangyi Meng,Zhouping Wang,Shijia Wu
A nano-composite film was prepared from k-carrageenan (KC), konjac glucomannan (KGM) and TiO 2 nanoparticles (NPs) by solvent casting method. The morphology and structure of the KC/KGM based nano-composite films prepared from different weight ratio of TiO 2 NPs were characterized by SEM, XRD and FT-IR techniques. The addition of TiO 2 NPs to KC/KGM films improved the mechanical, thermal, structural, and barrier properties of nano-composite films. In particular, the film containing 7 wt% of TiO 2 NPs exhibited effective photocatalytic anti-fungal activity (79%) for Penicillium viridicatum after irradiating 6 h through generating reactive oxygen species thus destroying the fungi. Benefitting from the improved characteristics investigated above, the nano-composite films showed a favorable effect on strawberry storage. Overall, the fabricated KC/KGM/TiO 2 nano-composite films have a broad application in the field of food preservation and packaging applications.
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PubMed
高影响因子
JOURNAL OF CHEMICAL THERMODYNAMICS
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2020
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IF 2.888
Xia Wang,Kaiyu Zhao,Yafei Guo,Lingzong Meng,Tianlong Deng,Dan Li
The solid–liquid phase equilibria of systems LiCl–NaCl–CaCl 2 –SrCl 2 –H 2 O and CaCl 2 –SrCl 2 –H 2 O at 273.15 K and 0.1 MPa were investigated with the isothermal equilibrium method. The solid–liquid equilibrium phase diagrams were constructed with the experimental solubilities. The phase diagram in the ternary system consists of one univariant solubility curve saturated with solid solution (Ca,Sr)Cl 2 ·6H 2 O, and one crystallization field of the solid solution. There are three invariant points, seven isothermal univariant curves, and five crystallization regions saturated with NaCl corresponding to (Ca,Sr)Cl 2 ·6H 2 O, SrCl 2 ·2H 2 O, LiCl·2H 2 O, CaCl 2 ·4H 2 O and LiCl·CaCl 2 ·5H 2 O in the dry-salt diagram of the quinary system. The areas of crystallization zones decrease according to the above order. The J (NaCl), J (H 2 O), refractive index and density of the solution gradually change regularly with the increasing of J (CaCl 2 ) in the solution. These results on phase diagrams of the quinary system can supply theoretical reference for lithium salts and strontium salts separation from calcium chloride type brine.
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高影响因子
JOURNAL OF CATALYSIS
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2020
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IF 7.888
Jichang Lu,Jian Fang,Zhizhi Xu,Dedong He,Siyou Feng,Yubei Li,Gengping Wan,Sufang He,Hua Wu,Yongming Luo
Supported MoS 2 based materials are widely used as heterogeneous catalysts. In this work, we propose a rapid and facile method (ultrasound-induced impregnation assisted by microwave thermal treatment) to synthesize mesoporous silica (SBA-15)-supported, few-layer, ordered and K-promoted MoS 2 nanosheets with different K/Mo ratios. The prepared catalysts are characterized by various physical and chemical techniques. Their catalytic performance is evaluated by methyl mercaptan (CH 3 SH) synthesis from CO/H 2 /H 2 S. The results show that our catalysts exhibit a much higher CO conversion and selectivity to CH 3 SH than the catalysts prepared using the conventional impregnation and reported in the literature. The good performance arises because of two main factors: MoS 2 nanosheets of only 2–4 layers and K promotion. Experimental characterizations and (density functional theory) calculations show that the former is the typical nano-size effect, and the latter stabilizes C S bonds when activating COS molecules.
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高影响因子
JOURNAL OF CHEMICAL THERMODYNAMICS
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2020
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IF 2.888
Qi Zhou,Taotao Zhan,Junshuai Chen,Maogang He,Ying Zhang
n -Decane is a major ingredient of many transportation fuels, and is widely used as the additive in engineering domain. To supplement the existing database, the speed of sound in n -decane was measured along five isobaric lines from (0.1 to 10) MPa and at temperatures between (298.32 and 653.93) K by the Brillouin light scattering method. With the level of confidence of 0.95 (coverage factor k = 2), the relative expanded uncertainty of our measurement system and that of the experimental speed of sound in n -decane were estimated to be less than 1.1% and 1.7%, respectively. Besides, the absolute average percentage deviation and the maximum deviation of the experimental results from values calculated with the recommended fundamental equation in the NIST Standard Reference Database 23 were found to be 1.0% and 4.4%, respectively. At the end, for temperatures between (303.15 and 373.15) K and at pressures up to 10 MPa, the derived properties of n -decane including density, isobaric heat capacity, isobaric thermal expansion, isothermal compressibility, isentropic compressibility and internal pressure were studied.
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高影响因子
JOURNAL OF MOLECULAR LIQUIDS
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2020
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IF 5.065
Rui-Zhi Cui
The experimental solubility of LiCl–Li 2 SO 4 –MgCl 2 –MgSO 4 –H 2 O and KCl–K 2 SO 4 –MgCl 2 –MgSO 4 –H 2 O systems was measured at 288.15 K. The corresponding stable phase diagrams and water content diagrams were plotted by experimental results. Double salt was formed in both two systems. There are six phase fields, nine univariant solution curves and four invariant points in the phase diagram of LiCl–Li 2 SO 4 –MgCl 2 –MgSO 4 –H 2 O system. And the diagram of another system has seven invariant points and eight crystallization regions. By using multiple linear regression method, parameter Ψ Li,Cl,SO4 and the solubility equilibrium constants of double salt KCl·MgSO 4 ·3H 2 O were obtained by solubility data fitting at 288.15 K. The equilibrium solubility of salts in above systems at the same temperature was predicted with Pitzer's electrolyte solution model and mathematical calculation software. The results indicate that the predicted data are in correspondence with experiments.
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高影响因子
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