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JOURNAL OF CHEMICAL AND ENGINEERING DATA · 2019 · IF 2.298

Saturated Solubility and Thermodynamic Evaluation of l-Tryptophan in Eight Pure Solvents and Three Groups of Binary Mixed Solvents by the Gravimetric Method at T = 278.15–333.15 K

Wenjun Zhu,Yuwen Fan,Qiang Xu,Xinxin Liu,Bin Heng,Wenge Yang,Yonghong Hu

In this research, solubility of l-tryptophan in water, methanol, ethanol, acetone, isopropanol, n-butanol, acetonitrile, ethyl acetate, organic pure solvent, and in three binary mixed solvents (water + acetonitrile), (water + methanol), and (water + isopropanol) at the temperature range of T = 278.15–333.15 K was determined with the gravimetric method. The experimental results show that the solubility of l-tryptophan in the above solvents increased as temperature rose, and it achieved the highest dissolution efficiency in water. The improved Apelblat model, the Buchowski–Ksiazaczak λh model, the Redlich–Kister (CNIBS/R–K) model, and the Jouyban–Acree model were used to nonlinearly fit the experimental data of solubility, and the consistency was good. The physicochemical information of l-tryptophan provided in this report may be helpful for its extraction/separation, recrystallization, purification, and formulation development.

CAS / MDL: 73-22-3
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JOURNAL OF CHEMICAL AND ENGINEERING DATA · 2015 · IF 2.037

Solubility of 3,3′-(Oxidi-2,1-ethanediyl)bis[1-methyl-imidazolium] Dihexafluorophosphate in Water, Methanol, Ethanol, Acetone, and Acetonitrile and Binary Mixtures (Water + DMF) from (283.00 to 323.00) K

Jia-rong Guo,Bin Xu,Yan Wang,Ling-hua Zhuang,Guo-wei Wang

3,3′-(Oxidi-2,1-ethanediyl)bis[1-methyl-imidazolium] dihexafluorophosphate ([C4O(mim)2][PF6]2) was synthesized and confirmed with 1H NMR and FT-IR. The thermal stability of [C4O(mim)2][PF6]2 was studied with differential scanning calorimetry and thermogravimetric analyses. Using the dynamic method, the solubility of [C4O(mim)2][PF6]2 in five different pure solvents (water, methanol, ethanol, acetone, and acetonitrile) and binary mixtures (water + DMF) was measured at the temperature range from (283.00 to 323.00 K) at atmospheric pressure. The solubility of [C4O(mim)2][PF6]2 in those selected solvents increased with increasing temperature and DMF contents, but the rate of solubility is different. The experimental data were correlated with the modified Apelblat equation. Also, the solubility of [C4O(mim)2][PF6]2 and [C6O2(mim)2][PF6]2 was been compared in the same solvent.

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Journal of Materials Chemistry C · 2024 · IF 5.7

K2SiF6:Mn4+ red-luminescent crystals with high external quantum efficiency (EQEmax of 78%) and high thermal quenching temperature (T1/2 > 500 K) enabling high brightness warm white LEDs

Wenrui Zhang,Yayun Zhou,Ce Shi,Jiajun Ren,Liying Zhang,Haipeng Ji

Mn4+-activated fluoride phosphors are some of the crucial red-emitting phosphors for white lighting systems driven by light-emitting diodes (LEDs). In this study, we successfully synthesized high-quality K2Si1−xF6:xMn4+ (nominal x = 0.03–0.70, measured x of 0.22%–33.3%) crystals, measuring approximately 1 mm in size, through a new cooling-induced crystallization method. These crystals exhibit narrow line-type photoluminescence emission bands and exceptional optical properties, including a high absorption efficiency of up to 92.9% and an external quantum efficiency of up to 78.5%, which are among the record values for Mn4+-doped fluoride phosphors. Furthermore, they exhibit a notably elevated luminescence thermal quenching temperature (T1/2) exceeding 500 K. A comprehensive investigation into the phase transformation, zero-phonon line tuning, and fluorescence decay behavior as a function of increasing Mn concentrations was also conducted. Practical applications were demonstrated through the fabrication of warm white LEDs, integrating a blue LED with a garnet yellow phosphor and the as-synthesized K2Si1−xF6:xMn4+ (measured x of 2.94%) crystals as the red component. The white LEDs exhibit an impressive luminous efficacy of 192.1 lm W−1, a color rendering index of Ra = 87.5 and R9 = 62 under a 20 mA driving current. Our study highlights the outstanding properties of Mn4+-doped fluoride crystals with bulk size rather than conventional powdery form and the potential of the cooling-induced crystallization method for cultivating the crystals.

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JOURNAL OF CHEMICAL AND ENGINEERING DATA · 2009 · IF 2.063

Vapor−Liquid Equilibrium Data of (Carbon Dioxide + Methyl Propionate) and (Carbon Dioxide + Propyl Propionate) at Pressures from (1.00 to 12.00) MPa and Temperatures from (313.0 to 373.0) K†

Li Hongling,Zhu Rongjiao,Xu Wei,Xu Hongfei,Dong Zeliang,Tian Yiling

High-pressure vapor−liquid equilibrium data for (methyl propionate + carbon dioxide) and (propyl propionate (PP) + carbon dioxide) were measured at pressures from (1.00 to 12.00) MPa and temperatures in the range from (313.0 to 373.0) K. Experimental results were correlated with the Peng−Robinson equation of state with the two-parameter van der Waals mixing rule. At the same time, the Henry’s coefficient and partial molar enthalpy change and partial molar entropy change of CO2 during dissolution at different temperature were also calculated.

CAS / MDL: 554-12-1 106-36-5
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JOURNAL OF CHEMICAL AND ENGINEERING DATA · 2011 · IF 2.089

Liquid−Liquid Equilibria of Water + Pentan-1-ol + 2,6,6-Trimethylbicyclo[3.1.1]hep-2-ene or 6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptane at (293.15, 303.15, 313.15, and 323.15) K

Xuejun Huang,Yao Chen,Changwei Wang,Hui Wang

Mutual solubility data of water + pentan-1-ol and liquid−liquid equilibrium of water + pentan-1-ol +2,6,6-trimethylbicyclo[3.1.1]hep-2-ene (α-pinene) and water + pentan-1-ol + 6,6-dimethyl-2-methylenebicyclo[3.1.1]heptane (β-pinene) have been measured experimentally at (293.15, 303.15, 313.15, and 323.15) K under atmospheric pressure. The estimated uncertainty of phase composition and temperature were about (0.0005 and 0.05) K, respectively. The experimental ternary liquid−liquid equilibrium data have been simultaneously predicted and correlated by the extended and modified UNIQUAC models.

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JOURNAL OF MOLECULAR LIQUIDS · 2024 · IF 5.3

An emulsion extraction system composed of hydrophobic deep eutectic solvent and water for synchronous extraction of oil and phenolic compounds from U.S. pecans [Carya illinoinensis (Wangenh.) K. Koch]

Liling Wang,Yanbin Wang,Yuchuan Qin,Liang He

U.S. pecan nuts are rich in oil and phenolic compounds with important biological functions. At present, the reports about simultaneous extraction of oil and phenolic compounds are limited, and the traditional procedure is complicated and the yield is low. In this study, a new emulsion formed by hydrophobic deep eutectic solvent (DES) and water was used as extractant for synchronous extraction of oil and phenolic components from U.S. pecans, and subsequently the two were recovered from the upper and lower phases based on the incompatibility of DES and water, respectively. The oil and phenolic compounds obtained by the optimization of extraction conditions were 615.29 mg/g and 82.11 mg/g, respectively, which were higher than those obtained by conventional methods. At the same time, the extraction mechanism is discussed through the extraction kinetics and thermodynamics. The extraction process conformed to the Fick’s second law, and it was an endothermic process. After directional recovery by macroporous resin and back-extraction, the effectiveness of the method was proved by the analysis of fatty acid composition of oil, spectral characterization of phenolic compounds and antioxidant activities.

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BIOMACROMOLECULES · 2024 · IF 5.5

CD-MOF-1 Growth on Polysaccharide Gels through Only C2–OH/C3–OH or C5–O/C6–OH Group Formed Four-Coordinated K+ Ions for Developing Porous Biogels

Danyu Lv,Wanjun He,Wei Liu,Yuqiang Cheng,Yan Cui,Xiujuan Zhou,Yanwen Xue,Siming Yu,Ningjin Zhang,Hecheng Meng,Yongguang Guan,Jian-He Sun,Xian-Ming Shi

The γ-cyclodextrin (γ-CD) metal–organic frameworks (CD-MOF-1) consist of γ-CD and potassium (K+) ions through coordinating an eight-coordinated K+ ion with two C5-linked oxygen and C6-linked hydroxyl (C5–O/C6–OH) groups in the primary faces of adjacent γ-CD units and two C2- and C3-linked hydroxyl (C2–OH/C3–OH) groups in the secondary faces. Herein, we found polysaccharide gels with only C2–OH/C3–OH or C5–O/C6–OH groups in pyranoid rings can form four-coordinated K+ ions and then coordinate γ-CD in a KOH solution for CD-MOF-1 growth. Exposure of C2–OH/C3–OH or C5–O/C6–OH groups in polysaccharide gels is important to form active four-coordinated K+ ions. Mechanism supporting this work is that four-coordinated K+ ion sites are first formed after coordinating C2–OH/C3–OH groups in pectin and then coordinating C5–O/C6–OH groups in the primary faces of γ-CD units. Alternatively, four-coordinated K+ ions with C5–O/C6–OH groups in chitosan can coordinate the C2–OH/C3–OH groups in the secondary faces of γ-CD units. Mechanism of CD-MOF-1 growing on pectin and chitosan gels through the proposed four-coordinated K+ ions is also universally applicable to other polysaccharide gels with similar C2–OH/C3–OH or C5–O/C6–OH groups such as alginate gel. Based on this mechanism, we developed pectin and chitosan gel-based CD-MOF-1 composites and exemplified applications of them in antibacterial and organic dye removal. To help future research and applications of this mechanism, we share our theoretical assumption for further investigations that any matrices with an ortho-hydroxyl carbon chain or ortho-hydroxyl ether structures may form four-coordinated K+ ions for CD-MOF-1 growth. The proposed mechanism will broaden the development of novel CD-MOF-1 composites in various fields.

CAS / MDL: 9004-36-8
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JOURNAL OF MOLECULAR LIQUIDS · 2025 · IF 5.2

Experimental study on binary (solid + liquid) equilibrium and solubility analysis of N-fluorobenzenesulfonimide in 16 organic solvents at temperatures ranging from 273.35 to 322.85 K under 101.3 kPa

Bin Ou,Xiaofang Li,Lemei Huang,Xiaobing Liu,Kui Wu

The solubility of N-fluorobenzenesulfonimide in sixteen pure organic solvents, including methanol, ethanol, n-propanol, isopropanol, n-butanol, isobutanol, n-pentanol, isopentanol, ethyl acetate, 2-butanone, 2-pentanone, acetone, toluene, acetonitrile, ethyl formate, and methyl acetate, was measured using the gravimetric method in the temperature range of 273.35 K to 322.85 K under 101.3 kPa. Five thermodynamic models, namely the modified Apelblat equation, the λh equation, the Non Random Two Liquid (NRTL) equation, the Wilson equation and the Yaws model, were applied to correlate the measured solubility data. The correlation results were evaluated using relative mean deviation (RAD) and root mean square deviation (RMSD). The results indicate that the molar solubility increases with increasing temperature in all sixteen solvents, and all five relevant models can provide satisfactory results. A preliminary evaluation of the potential for chemical bond formation between solute and solvent was conducted by examining the electrostatic potential energy surface of the solute. Density functional theory (DFT) was utilized to calculate the interaction between solute and solvents during the dissolution process. The KAT-LSER model was introduced to analyze solvent effects, and the results showed that hydrogen bond acidity is not conducive to dissolution, while hydrogen bond alkalinity, dipole interaction, and the ability of electron polarization to stabilize charges are conducive to dissolution. The thermodynamic properties of the mixture, such as enthalpy, entropy, and Gibbs free energy, were calculated, and the results showed that the dissolution process of N-fluorobenzenesulfonimide is spontaneous and favorable.

✓ 已验证 产品关联 DOI 高影响因子
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JOURNAL OF MOLECULAR LIQUIDS · 2017 · IF 3.648

Solubility determination and thermodynamic modeling of sodium 1-naphthalenesulfonate and sodium 2-naphthalenesulfonate in six organic solvents from T = (278.15 to 323.15) K and mixing properties of solutions

Qiaojun Lu,Ming Jiang,Xiaoshu Wang,Guobo Huang,Hao Chen,Aiguo Zhong,Cuihong Ye,Hong Chen,Rongrong Li

The solubility of sodium 1-naphthalenesulfonate and sodium 2-naphthalenesulfonate in pure organic solvents of acetone, 1,4-dioxane, cyclohexanone , ethanol, ethyl acetate and isopropanol were measured by using the isothermal saturation method at temperature ranging from (278.15 to 323.15) K under 101.3   kPa. The mole fraction solubility of sodium 1-naphthalenesulfonate and sodium 2-naphthalenesulfonate in the selected pure solvents increased with the increase in temperature. The maximum mole fraction solubility of sodium 1-naphthalenesulfonate was observed in ethanol (2.767   ×   10 −   3 at 323.15   K), followed by that in 1,4-dioxane (2.028   ×   10 −   3 at 323.15   K), cyclohexanone (1.522   ×   10 −   3 at 323.15   K), isopropanol (1.094   ×   10 −   3 at 323.15   K), acetone (5.997   ×   10 −   4 at 308.15   K) and ethyl acetate (3.111   ×   10 −   4 at 323.15   K); For sodium 2-naphthalenesulfonate   +   solvents systems, the maximum mole fraction solubility was observed in ethanol (1.178   ×   10 −   3 at 323.15   K), followed by that in 1,4-dioxane (1.027   ×   10 −   3 at 323.15   K), ethyl acetate (6.197   ×   10 −   4 at 323.15   K), cyclohexanone (3.233   ×   10 −   4 at 323.15   K), isopropanol (1.058   ×   10 −   4 at 323.15   K) and acetone (9.683   ×   10 −   5 at 323.15   K). The measured solubility data were correlated and calculated by using the modified Apelblat equation, λh equation and NRTL model. The calculated solubilities agreed better with the experimental values by using the modified Apelblat equation than the other two models. Moreover, the mixing properties including the mixing Gibbs energy , mixing enthalpy , mixing entropy, activity coefficient at infinitesimal concentration ( γ 1 ∞ ) and reduced excess enthalpy ( H 1 E   ,   ∞ ) were calculated by NRTL model.

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JOURNAL OF CHEMICAL AND ENGINEERING DATA · 2022 · IF 3.119

Measurements of Solid–Liquid Equilibria in Quaternary System LiBr–MgBr2–KBr–H2O and Its Two Ternary Systems (LiBr–MgBr2–H2O and MgBr2–KBr–H2O) at 288.15 and 308.15 K

Guopeng Chen,Junsheng Yuan,Zilong Liu,Ming Lei,Bin Li

The solid–liquid equilibria in the LiBr–MgBr2–KBr–H2O system was measured, along with its two subsystems, LiBr–MgBr2–H2O and MgBr2–KBr–H2O, at 308.15 and 288.15 K using the isothermal dissolution equilibrium method. The stable phase diagrams of the three systems at 308.15 and 288.15 K were plotted. For the ternary LiBr–MgBr2–H2O system, two univariant curves, one ternary invariant point, and two crystallization fields, the fields being MgBr2·6H2O and LiBr·2H2O, were identified. The ternary system MgBr2–KBr–H2O contained three univariant curves, two ternary invariant points, and three crystallization fields corresponding to KBr, KBr·MgBr2·6H2O, and MgBr2·6H2O. From the stable phase diagram of the quaternary system, five univariant curves, four crystallization fields, and two invariant points were observed. The corresponding solids of the four crystallization fields were KBr, LiBr·2H2O, KBr·MgBr2·6H2O, and MgBr2·6H2O. The quaternary phase diagrams at 288.15 and 308.15 K had similar shapes, and the shapes of each crystallization field were identical. The crystallization field of KBr was larger than the other crystallization fields. With an increase in temperature, the crystallization field of KBr became smaller and that of LiBr became larger.

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JOURNAL OF CHEMICAL AND ENGINEERING DATA · 2021 · IF 2.694

Determination and Analysis of Solubility of 4-[2-(N-Methylcarbamyl)-4-pyridyloxy]aniline in Ten Pure Solvents and Three Binary Solvent Mixtures at Different Temperatures (T = 278.15–323.15 K)

Zhi Wang,Liang Yao,Ting Wang,Zilong Cui,Jingling Ye,Yonghong Hu

In this study, the data on solid–liquid equilibrium of 4-[2-(N-methylcarbamyl)-4-pyridyloxy]aniline were studied by the gravimetric method. The solubility of 4-[2-(N-methylcarbamyl)-4-pyridyloxy]aniline was measured in 10 pure solvents (ethyl acetate, tetrahydrofuran, acetonitrile, dichloromethane, acetone, methanol, acetylacetone, n-propanol, n-butanol, and water) and three binary solvent mixtures (water + tetrahydrofuran, acetone + n-butanol, and ethyl acetate + n-propanol) in the temperature range of 278.15 to 323.15 K under atmospheric pressure. The experimental results show that the solubility of 4-[2-(N-methylcarbamyl)-4-pyridyloxy]aniline in the abovementioned solvents increases with the increase of temperature. Among the 10 pure solvents, ethyl acetate has the highest solubility. The improved Apelblat model, Buchowski–Ksiazaczak λh model, Redlich–Kister (CNIBS/R-K) model, and Jouyban–Acree model are used for nonlinear fitting of experimental data, and the KAT-LSER model is also used to study the relationship between the solubility of 4-[2-(N-methylcarbamyl)-4-pyridyloxy]aniline in pure solvents and the interaction between solvent and solute molecules. The physical and chemical information of 4-[2-(N-methylcarbamyl)-4-pyridyloxy]aniline provided in this report may help its extraction/separation, recrystallization, purification, and formulation development.

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APPLIED SURFACE SCIENCE · 2020 · IF 6.182

Getting self-healing ability and ultra-low dielectric loss for high-k epoxy resin composites through building networks based on Li0.3Ti0.02Ni0.68O grafted carbon nanotube bundles with unique surface architecture

Bihuan Peng,Li Yuan,Guozheng Liang,Aijuan Gu

Getting self-healing ability and ultra-low dielectric loss is effective to achieve high service reliability and sustainable development for high dielectric constant (high- k ) polymer composites. Herein, new functional fillers with special surface architecture (sLTNO@mAC) were synthesized by grafting Li 0.3 Ti 0.02 Ni 0.68 O particles (sLTNO) on surfaces of carbon nanotube bundles (mAC), which was then embedded in epoxy resin (EP) with disulfide bonds to develop new composites (sLTNO@mAC/EP). Compared with composites based on mAC (mAC/EP) or a blend of sLTNO and mAC (sLTNO/mAC/EP) with the same filler loading, sLTNO@mAC/EP composites have much higher dielectric constant and self-healing efficiency as well as much lower dielectric loss at the same frequency. For the composite based on sLTNO@mAC with 8.2 wt% of sLTNO, coded as sLTNO1@mAC/EP, its dielectric loss is only 0.02, about 1.1 × 10 -3 and 9.4 × 10 -3 times of that of mAC/EP and sLTNO/mAC/EP, respectively; meanwhile its dielectric constant (216.1, 100 Hz) is the highest value among self-healable dielectric composites reported so far, and sLTNO1@mAC/EP has higher self-healing efficiency (97.7%) than mAC/EP and sLTNO/mAC/EP. The mechanism behind these attractive properties reveals that dielectric properties of sLTNO@mAC/EP mainly depend on interface polarization, while those of mAC/EP and sLTNO/mAC/EP are mainly related to the integrity of conductive networks.

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