JOURNAL OF CHEMICAL THERMODYNAMICS
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2022
·
IF 3.269
Shuaiqi Sun,Dan Li,Tao Zhang,Yong Ma,Lingzong Meng,Tianlong Deng,Yafei Guo
The solubilities and refractive indices in the systems NaCl–Na 2 SO 4 –H 3 BO 3 –H 2 O and NaCl–H 3 BO 3 –H 2 O at 323.15 K were investigated with the isothermal dissolution equilibrium method. The phase diagram of the ternary system consists of two single-salt crystallization fields of NaCl and H 3 BO 3 , two solubility univariant curves, and one invariant point. The dry-salt diagram of the quaternary system is composed of three single-salt crystallization fields corresponding to NaCl, Na 2 SO 4 and H 3 BO 3 , three solubility univariant curves, and one invariant point. A comparison of the diagrams of the quaternary system at (298.15, 323.15 and 373.15) K shows that areas of sodium chloride and sodium sulfate salts region increases whereas the area of H 3 BO 3 region decreases distinctly with temperature increasing. Combining the Pitzer parameters and solubilities in the ternary systems in this study and literatures, the lacking Pitzer parameters for H 3 BO 3 were fitted on the basis of Pitzer model. The calculated solubilities with the model agree well with the experimental data. The phase diagrams and Pitzer model for the quaternary system at 298.15 and 323.15 K were then used to conduct a computer simulation of brine separation. All H 3 BO 3 and most of Na 2 SO 4 can be separated from the solution with segmental evaporation method.
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高影响因子
JOURNAL OF CHEMICAL THERMODYNAMICS
·
2021
·
IF 3.178
Kangrui Sun,Shuangshuang Gu,Xiaomeng Liu,Yafei Guo,Tianlong Deng
Equilibria data and the physicochemical properties including density and refractive index for the ternary system (KCl + KBO 2 + H 2 O) at 298.15 and 323.15 K were determined and proposed with the isothermal dissolution equilibrium and wet-reside solid phase (Schreinemarkers rule) methods. Also, the phase diagram and chart of physicochemical properties were constructed based on experimental data. For both temperatures, one invariant point, two univariant curves, two crystallization regions corresponding to KCl and KBO 2 ·4/3H 2 O were found. Noticeably, with the rise of temperature, the solubilities of the single salts of KCl and KBO 2 ·4/3H 2 O become large; meanwhile, the solubilities data at the invariant point also increase. What’s more, the physicochemical properties, including density and refractive index, change systematically in the wake of the concentration of potassium chloride, and due to the increase of solubilities along with the augment of temperature, the density and refractive index at 323.15 K have been increased compared at 298.15 K. The calculated values of the density and refractive index correlated using the empirical equations were consistent with the experimental data and the parameters obtained in our work are authentic.
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高影响因子
JOURNAL OF CHEMICAL THERMODYNAMICS
·
2021
·
IF 3.178
Yueyang Jiang,Song Lin,Houchun Yan,Hongyue Guo,Qingsong Li
Liquid-liquid equilibrium (LLE) data for water + diethylene glycol dimethyl ether + {methyl isobutyl carbinol, methyl isobutyl ketone, methyl isopropyl ketone, methyl tert -butyl ether, n -octanol and 2-ethyl-1-hexanol} was measured at 298.2 K under 101.3 kPa. The effect of separating diethylene glycol dimethyl ether from water is evaluated by the distribution coefficient and the separation coefficient. The Othmer-Tobias and Hand equations were chosen to examine the experimental LLE data. Meanwhile, the data was correlated by the NRTL and UNIQUAC thermodynamic models with AAD % less than 0.55 and RMSD % less than 0.77. The separation performance of six solvents was compared using the σ -profile analysis via the exploration of the intermolecular interaction.
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高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2023
·
IF 2.6
Xiudong Zhang,Xianqiang Li,Chundong Zhang,Leiyu Zhang,Ruxing Gao
In order to achieve deep decarbonization for the purification process of coal-based syngas, developing efficient and clean solvents with strong CO2 absorption ability is essential. Considering this point, this work measured the vapor–liquid equilibrium (VLE) data of the CO2 + diisopropyl ether (DIPE), CO2 + methyl tert-butyl ether (MTBE), and CO2 + 1,2-dimethoxy ethane (1,2-DME) binary systems at 253.15 K, with an experimental pressure ranging from 0.30 to 1.85 MPa. From the experimental results, it can be seen that 1,2-DME has the strongest CO2 absorption capacity, followed by MTBE and DIPE. Meanwhile, it is found that the ether bonds can significantly improve the absorption ability of the solvent for CO2, whereas the increase in molecular weight can result in a negative impact. Finally, the Soave–Redlich–Kwong (SRK), Peng–Robinson (PR), and perturbed-chain statistical associating fluid theory (PC-SAFT) models were used to correlate the VLE data and obtain the binary interaction parameters kij. From the results, it is found that PR and SRK models are more suitable to correlate the VLE data of the CO2 + ether system. This work not only can provide a crucial reference for the selection of solvents with stronger CO2 absorption capacity but also provides accurate basic data for process simulation and optimization in the purification process of raw syngas.
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高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2020
·
IF 2.369
Guang Yang,Jianqiang Zhang,Chunjuan Huang,Xin Song,Renjie Xu
Water as an auxiliary solvent is added to various alcohol solvents (methanol, ethanol, and isopropanol) and N,N-dimethylformamide (DMF) to form a variety of liquid mixtures, which are divided into different types according to different proportions. Starting from pure water, 0.1 mass fraction of organic solvents is added at a time until the ratio of organic solvent is 1. The abovementioned liquid mixtures are used as solvents to dissolve halosulfuron-methyl at 278.15–323.15 K under 101.2 kPa by means of the isothermal static technique. The experimental solubility of halosulfuron-methyl was calculated and validated by using three various computational models, i.e., Jouyban–Acree model, modified Apelblat–Jouyban–Acree model, and van’t Hoff–Jouyban–Acree model. Considering that there are many factors that change the experimental results, this experiment mainly selected temperature and water content as two factors as the main independent variables. From the point of view of temperature, it changes from a low value to a high value, so it is obvious that the solute mole fraction also follows its footsteps. Unlike the temperature, as the organic solvent is continuously diluted by water, the solute solubility changes in the opposite direction to the water content. By controlling the variable method to ensure that the above two variables remain unchanged, DMF has the best dispersion ability for all the selected solvents to dissolve halosulfuron-methyl. The solubility maximum of 2.542 × 10–3 at 323.15 K was found in pure DMF, and four systems followed the descending order as (DMF + water) > (ethanol + water) > (methanol + water) > (isopropanol + water). The largest relative average deviation and root-mean-square deviation values were 5.70 × 10–3 and 6.90 × 10–6, respectively. For drugs with poor water solubility and dissolution rate, measuring their solubility and understanding their dissolution properties could effectively help solve the problem of nonwetting and nondiffusion. The obtained equilibrium solubility and correlation parameters of halosulfuron-methyl in studied cosolvency systems could be favorable for the industrial production, recrystallization, and purification processes of API halosulfuron-methyl.
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高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2020
·
IF 2.369
Yuanming Fu,Xianyang Meng,Ximei Liang,Jiangtao Wu
The density and viscosity of liquid 1-dodecanol and 1,12-dodecanediol were reported, which were obtained simultaneously by using a vibrating-wire viscometer. The measurements were determined at temperatures from 298.15 to 573.15 K for 1-dodecanol and 373.15 to 573.15 K for 1,12-dodecanediol and at pressures from 0.1 to 10 MPa. The combined expanded uncertainties (k = 2) of the reported data for density and viscosity were estimated to be 0.26% and 2.1%, respectively. The density and viscosity data obtained in this work were correlated with the Tait-type equation and Andrade–Tait equation, respectively. The average absolute percentage deviation of the density data from the correlations were 0.08% for 1-dodecanol and 0.06% for 1,12-dodecanediol, and the average absolute percentage deviation of the viscosity data from the correlations were 0.64% for 1-dodecanol and 0.67% for 1,12-dodecanediol. The correlations were also used to compare the present results with the available literature data. An acceptable agreement between the present results and the literature data was observed. Finally, the derived properties of isobaric expansibility and isothermal compressibility were derived based on the Tait-type equation of this work.
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高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2020
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IF 2.369
Yajun Li,Xiaofang Li,Kui Wu
In this work, the solubility of N,N-dibenzylhydroxylamine (DBHA) in 17 pure solvents, including methanol, ethanol, n-propanol, n-butanol, acetone, ethyl acetate, dichloromethane, acetonitrile, isopropanol, n-octanol, cyclohexanone, 1,2-dichlorobenzene, toluene, isobutanol, n-pentanol, 1,2,4-trichlorobenzene, and tetrahydrofuran, was determined by a static gravimetric method with the temperature ranging from 273.15 to 323.35 K under atmospheric pressure. The solubility of DBHA was positively related to temperature in all selected solvents. Besides, the experimental solubility data were correlated with four thermodynamic models, i.e., the modified Apelblat equation, λh equation, nonrandom two-liquid (NRTL) equation, and the Wilson equation. The results indicated that all of the models could give satisfactory results and the NRTL equation provided the best fitting result. Furthermore, the dissolution thermodynamic parameters in the used solvents, including the Gibbs energy (ΔdisG), molar enthalpy (ΔdisH), and molar entropy (ΔdisS), were calculated according to the Wilson model, and it turned out that the dissolution process of DBHA was endothermic.
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高影响因子
GREEN CHEMISTRY
·
2014
·Vol. 16
·期 5
·2762-2770
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IF 6.852
Zehui Zhang,Bing Liu,Kangle Lv,Jie Sun,Kejan Deng
In this study, we have successfully prepared a heterogeneous catalyst (K-10 clay-Mo) by the immobilization of bis(acetylacetonato) dioxo-molybdenum(VI) [MoO2(acac)2] on montmorillonite K-10 clay. The structure of the resultant catalyst was characterized by X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), transmission electronic microscopy (TEM), and Fourier transform infrared (FTIR) spectroscopy. The catalytic activity of K-10 clay-Mo was tested in the aerobic oxidation of 5-hydroxymethylfurfural (HMF). Although a molecule of HMF contains one hydroxyl group and one aldehyde group, to our surprise, the catalyst showed high catalytic activity for the oxidation of the aldehyde group of HMF into 5-hydroxymethyl-2-furancarboxylic acid (HMFCA). A variety of important reaction parameters such as the reaction temperature, catalyst amount, and solvent were explored. HMFCA could be obtained in a high yield of 86.9% with a HMF conversion of 100% after a short reaction time of 3 h in toluene. More importantly, the catalyst K-10 clay-Mo could be reused several times without a significant loss of its catalytic activity.
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高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2015
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IF 2.037
Xiong Zheng,Ying Zhang,Maogang He
The speed of sound in hexane and heptane (mass purity > 0.990, GC) was measured using the Brillouin light scattering method at T = (300.15 to 506.15) K for hexane, (302.15 to 536.15) K for heptane), and p = (1.0 to 8.5) MPa, including saturated liquid, saturated vapor, and compressed liquid. The expanded relative uncertainty (k = 2) of the speed of sound was estimated to be less than 1.0% over the whole investigated range of states. Polynomial representations for the speed of sound in hexane and heptane were fitted to the experimental results. A comparison of the speed of sound data with the correlation shows that, for hexane, the AAD is 0.67% for the saturated liquid, 0.36% for the saturated vapor and 0.57% for the compressed liquid respectively, and for heptane, the AAD is 0.46% for the saturated liquid, 0.38% for the saturated vapor and 0.41% for the compressed liquid, respectively.
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高影响因子
JOURNAL OF MOLECULAR LIQUIDS
·
2016
·
IF 2.74
Dongren Cai,Jinbei Yang,Hairong Da,Ling Li,Hongxing Wang,Ting Qiu
Densities, ρ and viscosities, η of N , N -dimethyl-N-(3-sulfopropyl)cyclohexylammo-nium tosylate ([CyN 1,1 PrSO 3 H][Tos]) with water and methanol were measured, at temperatures from 303.15 K to 328.15 K with 5 K interval and 0.1013 MPa, as a function of [CyN 1,1 PrSO 3 H][Tos] molality (or mass fraction). The isobaric thermal expansion coefficient , molecular volume, standard molar entropy, and lattice energy of the pure IL were obtained based on the density data of pure IL . The apparent molar volume , V φ , infinite dilution apparent molar expansibility, E φ ∞ and energy barrier, E were calculated from the experimental data. The Redlich-Mayer equation was used to evaluate infinite dilution apparent molar volume , V φ ∞ . In addition, viscosities can be described satisfactorily by Vogel-Fulcher-Tammann (VFT) equation. The V φ ∞ values of the IL in water are higher than those in methanol, which suggests that the ion-solvent interactions for [CyN 1,1 PrSO 3 H][Tos] + water binary system are stronger than those for [CyN 1,1 PrSO 3 H][Tos] + methanol. And the energy barrier values decrease with the drop of IL mass fraction in both systems, indicating that the viscosity changes of binary mixtures are more sensitive to the temperature at high composition of the IL.
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高影响因子
APPLIED GEOCHEMISTRY
·
2017
·
IF 2.581
Wei Zhang,Li Zhou,Hongfeng Tang,Heping Li,Wenlei Song,Gang Xie
The solubility of fluorite in hydrothermal conditions is important in ore forming and geothermal processes and groundwater utilization. However, a quantitative description of the geochemical behavior of fluorite under hydrothermal conditions has not been previously reported. In this work, the solubility of fluorite in Na-K-Cl solutions at temperatures up to 260 °C and ionic strengths up to 4 M was determined by experiments and modeling. The solubility products obtained in this work at 30 and 50 °C under ambient pressure and those from literature were used to regress the density model parameters for fluorite solubility product calculation at high temperature. The Pitzer interaction model was adopted to calculate the activity coefficient . The fluorite solubility determined in KCl solution at 250 °C under vapor saturated pressure and that from the literature were combined with the low-temperature thermodynamic properties of heat capacity and osmotic coefficient to obtain the binary parameters of NaF and KF at temperatures up to 260 °C. A thermodynamic model was then developed for calculating the fluorite solubility in Na-K-Cl solution at temperatures up to 260 °C, under vapor saturated pressure and ionic strengths up to 4 M. As calculated from this model, fluorite solubility measured at 200 °C and 0.1 M NaCl was well predicted. Both temperature and ionic strength had significant effects on fluorite solubility, and fluorite exhibited a similar dissolution pattern in both NaCl and KCl solution. When the concentration was lower than 2 M, the solubility of fluorite first increased with temperature, reached a maximum at approximately 100 °C, and then decreased. When the concentration was higher than 2 M, the solubility of fluorite increased monotonically with temperature.
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高影响因子
INORGANIC CHEMISTRY
·
2017
·
IF 4.857
Hongzhou Lian,Qingming Huang,Yeqing Chen,Kai Li,Sisi Liang,Mengmeng Shang,Manman Liu,Jun Lin
Narrow band red-emitting A2GeF6:Mn4+ (A = Na, K, Rb, Cs) phosphors were prepared through a two-step precipitation–cation exchange route using a K2MnF6 precursor as the Mn4+ source. The phase purity, morphology, and constituent were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), X-ray photoelectric spectroscopy (XPS), and electron paramagnetic resonance (EPR) examination. Optical properties were investigated by photoluminescence spectra (PL and PLE) and high-resolution PL. A temperature-dependent PL examination was performed to investigate the electron–phonon coupling emission mechanism of Mn4+ in these alkali fluorogermanates. The PL data show that both ordered distribution and appropriate distance between Mn4+ ions are propitious for enhancement of the emission intensity. A resonance emission enhancement (REE) mechanism has been proposed to explain the intensity increment among these products. These phosphors present bright red emission under blue light (467 nm) illumination, among which Cs2GeF6:0.03Mn4+ exhibits the most excellent optical properties with a quantum yield (QY) of 93%. A WLED (white light-emitting diode) fabricated with blend of commercial YAG:Ce3+ and this phosphor emits intense warm white light with low color temperature (CCT = 3385 K) and high color rendering index (Ra = 90.5), implying its potential application as red phosphor in WLEDs.
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PubMed
高影响因子
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