Journal of Chemistry
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2022
·
IF 3.241
Yanqin Meng,Libin Yang,Qing Xu,Yafei Guo,Tianlong Deng
Ion-selective electrodes directly respond to the activity of target ions without destroying the existing form of the original electrolyte, so ion-selective electrodes have been widely used in various fields. Mean activity coefficient of NaNO3 in the ternary system (NaNO3 + CsNO3 + H2O) at 298.15 K was measured by electromotive force (EMF) with the cell: Na+ ion-selective electrode (Na-ISE)|NaNO3 (mA), CsNO3 (mB)|NO3- ion-selective electrode (NO3-ISE) with total ionic strengths from 0.01 to 4.5 mol·kg-1 at different ionic strength fractions (0, 0.1, 0.2, 0.4, 0.6, and 0.8). The results showed that the Na-ISE and NO3-ISE have a good Nernst response, and the mean activity coefficients of NaNO3 are obtained via the Nernst equation. Based on the data of mean activity coefficients of NaNO3, the relationship diagrams of activity coefficients of NaNO3 against ion strengths in the ternary system were demonstrated, and the Pitzer mixing ion-interaction parameters and were obtained.
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JOURNAL OF CHEMICAL THERMODYNAMICS
·
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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JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2022
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IF 3.119
Xinxin Cheng,Liang Yao,Ting Wang,Yanju Zhang,Rensong Wang,Peng Zhou,Wenge Yang,Bin Zhou,Li Mi,Yonghong Hu
Herein, the solubility and thermodynamic characterization solubility of 3,4,5-trimethoxycinnamic acid (TMCA) were studied by a static equilibrium method combined with high-performance liquid chromatography (HPLC), which provided a significant reference for crystallization and industrial separation of TMCA. First, the solubility data of TMCA was measured in 11 industrial common solvents and 4 binary mixed solvents at different temperatures (278.15–323.15 K) under atmospheric pressure. The results showed that the solubility of TMCA in the test solvents was positively correlated with temperature. In binary solvents, the increase in the mole fraction of the cosolvent also facilitated the dissolution of TMCA. Then, the monosolvent solubility data obtained in the experiment were fitted by the Buchowski–Ksiazaczak λh model and modified Apelblat model. The binary mixed solvent solubility data obtained in the experiment were fitted by the CNIBS/R–K model, Jouyban–Acree model, and SUN model. Meanwhile, the KAT-LSER model was also used to explore the effect of the solvation of TMCA. Furthermore, as can be seen from differential scanning calorimetry (DSC) and X-ray diffraction (XRD) analyses, the purity of the sample is without crystal transformation before and after dissolution, indicating that the physical and chemical properties of the TMCA sample are stable in the experimental process, and the experimental data have good accuracy and reliability.
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JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2022
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IF 3.119
Tao Zhang,Liwei Zhuang,Dan Li,Lingzong Meng,Tianlong Deng,Yafei Guo,Yong Ma
The solubilities of salts, refractive indices, and pH values of the equilibrium liquid phases in the quaternary system LiCl–LiBO2–Li2B4O7–H2O at 323.15 K were investigated by the isothermal dissolution method for the first time. The dry-salt diagram of the quaternary system consisted of one invariant point, three univariant curves and three crystallization fields corresponding to LiCl·H2O, LiBO2·2H2O, and Li2B4O7·3H2O. The solution refractive indices and pH values change regularly with the changing of concentration. Combining the equilibrium constants for different boron species, the distributions of six boron species in the mixed solution in the systems LiCl–LiBO2–H2O, LiBO2–Li2B4O7–H2O, and LiCl–Li2B4O7–LiBO2–H2O were calculated with the total boron concentration and pH values. The main boron species in the mixed solution of the quaternary system are B3O3(OH)4–, B4O5(OH)42–, B(OH)3, and B5O6(OH)4–. The boron species distributions are mainly affected by the pH values and the concentration of total boron and LiCl in the solution. The results of phase diagram and boron species distribution in the quaternary system can supply foundation data for separating lithium borate from brines.
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JOURNAL OF CHEMICAL THERMODYNAMICS
·
2021
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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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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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JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2020
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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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JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2020
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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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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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JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2023
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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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Materials Today Physics
·
2023
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IF 11.5
Wen-Fa Chen,Xiao-Ming Jiang,Bin-Wen Liu,Guo-Cong Guo
Infrared (IR) nonlinear optical (NLO) material with a concurrently wide band gap and significant NLO coefficient in a single crystal is an incompatible but addressable challenge. Hence, for the first time, the AgGaS 2 structure evolved into an Ag-based sulfide system integrating dual s -block elements, guiding the discovery of two NLO crystals named AMgAgGa 6 S 11 (A = K, 1 ; Rb, 2 ). Structurally, title phases possess a novel NLO functional motif [AgGa 6 S 17 ] assembled by two C 2 -type supertetrahedra through a shared [AgS 4 ] tetrahedron, in which the electropositive cations A + and Mg 2+ are embedded. Thus, compounds 1 and 2 display emulative band gaps (3.15 and 3.25 eV, exceeding that of 2.65 eV in AgGaS 2 ) toward optimizing the laser-induced damage thresholds (3.1 and 3.2 × AgGaS 2 @1064 nm). Remarkably, the noncentrosymmetric phases 1 and 2 exhibit moderate second-harmonic generation (SHG) responses (0.6 and 0.7 × AgGaS 2 @1910 nm), the greater-than-commercial half of the AgGaS 2 . To the best of our current knowledge, an experimental birefringence of 1 and 2 (0.029 and 0.027, @546 nm) is first observed in quinary ordered chalcogenides , indicating that samples 1 and 2 meet phase-matching conditions at the incident laser of 1910 nm. All these observations demonstrate that crystals 1 and 2 can become prospective NLO materials. This research will pave the way for discovering excellent IR NLO crystals with wide band gaps and impressive NLO coefficients by incorporating multiple strong electropositive elements into chalcogenides .
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MOLECULES
·
2023
·Vol. 28
·期 8
·3307
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IF 4.6
Jiaxuan Yang,Ning Chu,Xuwei Chen
A novel porous polyoxometalate (POM)-based composite (Co4PW–PDDVAC) was prepared via the solidification of water-soluble polytungstate (Co4PW) on the polymeric ionic liquid dimethyldodecyl-4-polyethylene benzyl ammonium chloride (PDDVAC) via a cation-exchange reaction. The solidification was confirmed by EDS, SEM, FT-IR, TGA, and so on. The strong covalent coordination and hydrogen-bonding interaction between the highly active Co2+of the Co4PW and the aspartic acid residues of proteinase K endowed the obtained Co4PW–PDDVAC composite with excellent proteinase K adsorption properties. Thermodynamic investigations indicate that the adsorption behavior of proteinase K was consistent with the linear Langmuir isothermal model, giving an adsorption capacity as high as 1428 mg g−1. The Co4PW–PDDVAC composite was applied in the selective isolation of highly active proteinase K fromTritirachium albumLimber crude enzyme fluid.Keywords:polyoxometalate;water-soluble polytungstate;polymeric ionic liquid;proteinase K (PrK);isolation
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