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
·
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
·
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
·
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
·
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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INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
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2023
·
IF 4.2
Dongying Yan,Ruilin Feng,Yanlong Qi,Chenxi Bai
Selective synthesis of 1,3-pentadiene without 1,4-pentadiene formation is challenging as well as rewarding because of the widespread use of 1,3-pentadiene in adhesive, paint, and curing agent production. Herein, modified K–Ce/ZrSi catalysts with acid–base sites were synthesized for the production of 1,3-pentadiene from 1,4-pentanediol. The overall 1,3-pentadiene yield was 74.7%, while the 1,4-pentadiene yield was 1.3%. On the catalyst, two parallel routes (direct dehydration and dehydra-decyclization) for the conversion of 1,4-pentanediol to 1,3-pentadiene were disclosed. The 4-position hydroxyl group was first activated and then eliminated on the acid sites. It was considered that the acid–base sites of catalysts exhibited a synergistic effect for the selective dehydration of 1,4-pentanediol to 1,3-pentadiene, where the medium strength Lewis acid sites and weak base sites were responsible for the elimination of the hydroxyl group and the corresponding β1-H, thereby inhibiting the formation of 1,4-pentadiene. Furthermore, a plausible reaction network was proposed.
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JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2017
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IF 2.323
Xiaojun He,Ze Tan,Qinbo Wang,Yinchuan Pei
Mononitro-substituted products derived from the nitration of m-toluic acid are 3-methyl-4-nitrobenzoic acid, 3-methyl-2-nitrobenzoic acid, and 5-methyl-2-nitrobenzoic acid, which are all crucial intermediates of pesticides and medicines. The solubilities of 3-methyl-4-nitrobenzoic acid, 3-methyl-2-nitrobenzoic acid, and 5-methyl-2-nitrobenzoic acid in water, methanol, ethanol, n-propanol, formic acid, acetic acid, and propanoic acid were measured at different temperatures (297.65–351.75 K) and under atmospheric pressure. As expected, the same solute has different solubilities in different solvents, and the dissolved amounts of these three solutes are also diverse in the same solvent. Subsequently the experimental solubility data of three mononitro-substituted products of m-toluic acid nitration in several solvents were correlated with the modified Apelblat equation and the NRTL activity coefficient model, and the calculated values are in excellent agreement with known experimental data in the temperature range studied.
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JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2017
·
IF 2.323
Hui Zhang,Zengkun Liu,Xiping Huang,Qi Zhang
The solubility data of sodium l-ascorbate in water, methanol, ethanol, acetone, chloroform, ethyl acetate, isopropyl alcohol, isobutyl alcohol, n-hexane, water–methanol mixture and water–ethanol mixture have been determined in the temperatures range of 278.15–323.15 K by a static analytic method at atmospheric pressure. The experimental data were correlated with the modified Apelblat equation, CNIBS/R-K model, and Jouyban–Acree model. On the basis of the solubility data, a novel model-free design approach (semisupersaturation control, SSSC) for combined cooling and antisolvent crystallization (CCAC) processes has been proposed and evaluated for sodium l-ascorbate in a methanol–water mixture. This approach can be easily implemented without complicated online monitors. Sodium l-ascorbate crystals with large and uniform morphology were obtained using the CCAC process, which was designed by the SSSC approach.
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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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JOURNAL OF MOLECULAR LIQUIDS
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2016
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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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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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