JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2025
·
IF 2.1
Bin Ou,Lemei Huang,Shi Su,Yanyan Huang,Zhijia Wang,Xiaobing Liu,Kui Wu
In this work, the solid–liquid equilibrium solubility and the impact of different solvents on 2-aminopyrimidine were explored across 17 distinct single-solvent systems, including methanol, ethanol, n-propanol, isopropanol, n-butanol, isobutanol, n-pentanol, isopentanol, ethyl acetate, butanone, 2-pentanone, acetone, acetonitrile, ethyl formate, methyl acetate, cyclopentanone, and cyclohexanone, at atmospheric pressure and temperatures ranging from 272.65 to 323.35 K. It was observed that in all these solvents, solubility increases as the temperature rises. At 298.15 K, the molar solubility sequence in the solvents is as follows: cyclopentanone > cyclohexanone > ethyl formate > methanol > ethyl acetate > butanone > methyl acetate > acetone > n-propanol > ethanol > 2-pentanone > n-butanol > isobutanol > isopropanol > isopentanol > n-pentanol > acetonitrile. The solubility data obtained from experiments were fitted using four models: the modified Apelblat model, the Buchowski–Ksiazaczak λh model, the NRTL model, and the Wilson model, all of which demonstrated a good fit. The modified Apelblat model yielded the most accurate correlations, as indicated by the lowest average ARD and RMSD values. Furthermore, using the Wilson model, the thermodynamic properties of the mixing process of 2-aminopyrimidine in the chosen solvents were calculated, revealing that the mixing was spontaneous and primarily driven by entropy. The results of this study provide valuable insights for the purification, crystallization, and industrial application of 2-aminopyrimidine and similar compounds.
✓ 已验证
产品关联
DOI
高影响因子
ACS Applied Polymer Materials
·
2024
·
IF 4.4
Zhao-Lei Huo,Jia-Yu Qiao,Le-Xi Zhang,Yao-Wen Yue,Qi-Da Qiu,Zhi-Jiang Hou,Jing Yin,Li-Jian Bie
Nowadays, attractive progress has been made on flexible humidity sensors for multifunctional applications, yet most of them still suffer from intrinsic instability due to the device structure based on flexible substrates. Herein, high-performance flexible humidity sensors were constructed using alkali metal halide doped polyvinylpyrrolidone (PVP)/polyvinylidene fluoride (PVDF) freestanding films. These films are prepared via a versatile thermally induced phase separation procedure with a network-like porous structure. After doping with metal salts of MCl (M = Li, Na, K), the humidity sensing performance is highly improved, among which the LiCl@PVP/PVDF film is the optimized one. In the relative humidity range of 11–97% at room temperature, the LiCl@PVP/PVDF sensor exhibits high response (2.3 × 103), fast response (10 s), small hysteresis (0.41%), and excellent repeatability. Notably, the LiCl@PVP/PVDF film is featured as fully self-supporting without the assistance of any substrate, readily tailorable that can be cut into different shapes, as well as highly flexible that can be bent to certain angles, and meanwhile almost maintains its response without significant decrease. Furthermore, the excellent performance enables the LiCl@PVP/PVDF sensor to demonstrate great potential in real-time noncontact diaper and finger detection. This contribution provides a practical humidity sensing candidate for moisture monitoring and gives insights into the fields of humidity sensors and flexible electronics.
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2025
·
IF 2.1
Jiyuan Zhang,Guojun Ji,Rui Cao,Bo Zhang,Qiang Li,Jianbin Zhang
Density and viscosity properties of 2-propoxyethanol (2-PE) + 3-diethylamino propylamine (DEAPA) mixed solutions were investigated at T = (298.15, 303.15, 308.15, 313.15, and 318.15) K and P = 100.5 kPa. After that, density was fitted well by the least-squares method, and viscosity was fitted well by the Arrhenius equation. According to basic data of density and viscosity, the excess properties and thermodynamic quantities of the mixed solutions were calculated, which indicated that an intermolecular interaction between 2-PE and DEAPA existed. Furthermore, computational chemistry and spectral analyses are used to explore the types of intermolecular interaction forces. Through computational chemistry, the most stable configurations of two organic single molecules and (2-PE + 2-PE, DEAPA + DEAPA, and 2-PE + DEAPA) bimolecules were optimized, and the hydrogen bond (HB) between the molecules was inferred. Through spectral analyses, Raman and 1H NMR spectra were respectively used to characterize the (2-PE + DEAPA) mixed solutions. The hydrogen bonding mechanism was further found to be consistent with computational chemistry. Subsequently, based on the molar ratio of the strong intermolecular interactions, the (2-PE + DEAPA) mixed solutions presented a strong absorption capability of 0.6382 mol of CO2/mol of DEAPA for CO2 fixation at 150 min.
✓ 已验证
产品关联
DOI
高影响因子
FUSION ENGINEERING AND DESIGN
·
2024
·
IF 1.9
Meng She,Jianming Nie,Xiaoyan Shu,Lin Feng,Jun Tang,Bo Huang
Bubble strengthened materials have received lots of attention in recent years, and among them, potassium-doped tungsten (W-K) is extremely desirable for very high-temperature applications such as plasma-facing materials in fusion reactors. However, it is difficult to fabricate ultrafine-grained W-K bulk materials by traditional methods. In this study, a novel preparation method of ultra-fine-grained bubble-strengthened material is presented. Unlike traditional routes, W-K mixed powder was prepared by evaporating and condensing pure K on the surface of nanoscale W powder. Two W-K mixing methods using this evaporation-condensation route were developed. Mechanical milling process combined with regular SPS sintering were carried out on the W-K mixed powder, which successfully manufactured ultrafine-grained (0.9 μm) W-K bulk material with a high density (96.4%). This study can provide important reference for the fabrication of other bubble-strengthened materials.
✓ 已验证
DOI
高影响因子
JOURNAL OF THE AMERICAN CERAMIC SOCIETY
·
2019
·Vol. 103
·期 2
·1018-1026
·
IF 3.094
Xuefang Luo,Ziyang Hou,Tianliang Zhou,Rong-Jun Xie
Mn 4+ -activated fluoride red-emitting narrow-band phosphors have been successfully used in wide color-gamut white LEDs for liquid crystal display (LCD) backlights. However, highly concentrated and toxic HF is usually used in their synthesis, causing environment and safety issues. In this work, we proposed a HF-free green method, that is, using NH 4 F/HCl instead of HF, to synthesize a series of A 2 X F 6 :Mn 4+ ( A = K, Na, Rb, Cs; X = Si, Ge, Ti) phosphors. The microstructure, photoluminescence (PL) properties, thermal quenching, and applications of the synthesized phosphors were investigated. Using the proposed approach, the phosphors generally showed a pure phase, a particle size ranging from 5 to 45 μm, and some characteristic sharp emission lines of Mn 4+ in the red spectral range. The internal quantum efficiency was varied in a broad range of 69%-94% under the 460 nm excitation, depending on the composition of the fluoride host. Among these compositions, K 2 X F 6 :Mn 4+ ( X = Ge and Ti) phosphors even had a similar external quantum efficiency (>60%) with commercial ones. By combining K 2 GeF 6 :Mn 4+ (narrow-band red) and β -sialon:Eu 2+ (narrow-band green) with a blue LED, a white light-emitting diode (wLED) backlight with a color gamut of 87.7% National Television System Committee Standard, color temperature of 8423 K, and a luminous efficacy of 110.8 lm/W was demonstrated. These results indicate that the synthetic method proposed in this work is universal for preparing highly efficient fluoride phosphors used in wLEDs.
✓ 已验证
DOI
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2022
·
IF 3.119
Hao Li,Fengyi Zhang,Qianlong Zhang,Hongjuan Li,Zhiying Wang,Chunli Li,Jing Fang
For some strongly non-ideal solution systems, there are often errors in predicting the phase equilibrium relationship of a multi-component system using the interaction parameters obtained by the regression of the phase equilibrium data of the binary system. The interaction parameters between the components obtained by directly determining the phase equilibrium of the multivariate system will bring the calculated values closer to the experimental values. Liquid–liquid equilibrium (LLE) data were determined for the system of n-butanol + n-pentanol + n-hexanol + water at 313.15, 323.15, and 333.15K under atmospheric pressure. LLE compositions were determined by gas chromatography. LLE data were correlated by the UNIQUAC model and the non-random two-liquid (NRTL) model. Both models were appropriate for describing the LLE of this quaternary equilibrium system. They provided accurate thermodynamic parameters for the phase equilibrium of C4–6 mixed alcohols in Fischer–Tropsch synthesis water.
✓ 已验证
DOI
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2026
·
IF 2.1
Jiazuo Wei,Bowen Tan,Bolun Yang,Jingjun Liu
To identify suitable extractants for extractive enhanced glycerol-CO2 carbonylation, liquid–liquid equilibrium data were determined for glycerol–glycerol carbonate systems with 2-pentanone, cyclohexanone, and 4-methyl-2-pentanone at 423.2, 433.2, and 443.2 K under a pressure of 1.5 MPa. The efficacy of the three extractants in the extraction of glycerol carbonate from glycerol was evaluated using distribution coefficients and extractive selectivity. Among the extractants, cyclohexanone possessed the highest distribution coefficient (>1) and superior extraction capability, while 4-methyl-2-pentanone exhibited the best selectivity for glycerol carbonate over glycerol. The liquid–liquid equilibrium data were then correlated using the Non-Random Two-Liquid (NRTL) model, and the corresponding binary interaction parameters were determined. The regressed parameters effectively reproduced the phase equilibrium trends observed for all studied systems. This work provides fundamental data and parameters for the selection of extractant to enhance the glycerol-CO2 carbonylation through extractive reactions as well as for subsequent process development and optimization for the carbonylation.
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF MOLECULAR LIQUIDS
·
2020
·
IF 5.065
Yu Dong,Tiantian Ping,Xiaoqin Shi,Shufeng Shen
Nonaqueous amine-based blends have great potential for energy-efficient CO 2 absorbent. In this work, densities and viscosities were measured for liquid binary mixtures of 2-(ethylamino)ethanol (EAE) and 2-(butylamino)ethanol (BAE) with 2-butoxyethanol (EGBE) at temperatures of (293.15–353.15)K over the entire concentration range and atmospheric pressure. Intermolecular interactions between EGBE and two secondary amines with different carbon chain length were discussed. The excess molar volume ( V E ), viscosity deviations ( ∆η ) and excess Gibbs free energy ( ∆G ⁎ E ) were calculated from the experimental data and also correlated with the Redlich-Kister equation to estimate the binary interaction parameters. The experimental data and the calculated from the proposed correlations for the studied binary mixtures matched well each other, with AADs within 0.01% and 1.45% for density and viscosity respectively. The variation of excess properties was also discussed in terms of intermolecular interactions. Weak interactions on mixing these binary mixtures with different mass fractions were observed from the FTIR spectra analysis.
研究领域:
化学工程
·
热力学
·
流体物理化学
·
气体吸收
·
分离科学
✓ 已验证
DOI
高影响因子
FLUID PHASE EQUILIBRIA
·
2015
·
IF 2.2
Qi Zhang,Yonghong Hu,Yang Yang,Cuicui Cao,Limin Cheng,Ying Shi,Wenge Yang
In this paper, we focused on solubility and solution thermodynamics of dibenzothiophene . By gravimetric method , the solubility of dibenzothiophene was measured in (formic acid + butan-1-ol) binary solvent mixtures from 278.15 K to 333.15 K under atmosphere pressure. The solubility data were fitted using modified Apelblat equation, a variant of the combined nearly ideal binary solvent/Redich–Kister (CNIBS/R–K) model and Jouyban–Acree model. Computational results showed that the modified Apelblat equation was superior to the other two equations. In addition, the thermodynamic properties of the solution process, including the Gibbs energy , enthalpy, and entropy were calculated by the van't Hoff analysis. The experimental results showed that formic acid could be used as effective anti-solvents in the crystallization process .
研究领域:
化学工程
·
热力学
·
溶液化学
·
分离过程
·
物理化学
✓ 已验证
DOI
高影响因子
ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-INTERNATIONAL JOURNAL OF RESEARCH IN PHYSICAL CHEMISTRY & CHEMICAL PHYSICS
·
2018
·
IF 1.144
Miao Shiding,He Shuai,Xue Yuli,Nian Hongen,Wang Jian,Zhang Peng,Zhu Fujie,Wen Wanglin
Food grade (K2CO3 wt.%>99.0%, GB/T 25588-2010) potassium carbonate (K2CO3) has been extracted from low concentration [K+] solutions of K2CO3-Na2CO3-H2O,
which refers to a subsystem of brine water in the Lop Nor Lake in West China. Procedures of the isothermal evaporation, crystallization, CO2 acidification, filtration, and calcination were employed to prepare the K2CO3. This research focuses on the phase study
of metastable equilibria between K2CO3-Na2CO3-H2O and KHCO3-NaHCO3-H2O. The solubility, density, conductivity, and pH values were determined. Phase diagrams were plotted at temperatures of 298.2 and 313.2
K. At 298.2 K the ternary system of K2CO3-Na2CO3-H2O was found to have double salts in form of solid solutions Na2CO3·K2CO3·(6–12)H2O, which would hinder the process
of getting pure K2CO3 by the means of isothermal evaporation. In this protocol the high-pressure CO2 was charged to the ternary carbonate solution, and the K2CO3-Na2CO3-H2O was moved to bicarbonate system
KHCO3-NaHCO3-H2O. This quaternary system is of a simple co-saturation type of diagram, in which a solid solution (KHCO3·NaHCO3) was found to be greatly affected by temperatures. This finding affords efficient separation of KHCO3
from the KHCO3-NaHCO3-H2O solutions.
研究领域:
无机化学
·
化学工程
·
相平衡
·
矿物加工
·
资源回收
✓ 已验证
DOI
高影响因子
JOURNAL OF CHEMICAL THERMODYNAMICS
·
2014
·
IF 2.423
Rongrong Li,Hao Chen,Huayue Zhu,Ru Jiang,Stephen Louis Romano,Xiaoying Chen,Deman Han
The equilibrium solubility of sodium 2-naphthalenesulfonate in binary (sodium chloride + water), (sodium sulfate + water), and (ethanol + water) solvent mixtures was measured at elevated temperatures from (278.15 to 323.15) K using a steady-state method. With increasing temperatures, the solubility increases in aqueous solvent mixtures. The results of these results were regressed by a modified Apelblat equation. The dissolution entropy and enthalpy determined using the method of the least-squares and the change of Gibbs free energy calculated with the values of Δ diff S o and Δ diff H o at T = 278.15 K.
研究领域:
物理化学
·
热力学
·
溶液化学
·
化学工程
✓ 已验证
DOI
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2016
·
IF 1.835
Kai Kang,Xiaopo Wang,Fuxin Yang,John M. Prausnitz
Experimental density data are reported for diethylene glycol monobutyl ether, diethylene glycol dibutyl ether, and ethylene glycol monobutyl ether from (283.15 to 363.15) K at pressures up to 60 MPa using a vibrating-tube densimeter. Relative uncertainties of density measurements are 0.001 with confidence level 0.95. The experimental data were fitted with a Tait-like equation; average relative deviations were 0.017% for diethylene glycol monobutyl ether, 0.015% for diethylene glycol dibutyl ether, and 0.019% for ethylene glycol monobutyl ether. The isobaric thermal expansivity and the isothermal compressibility were derived from the Tait-like equation.
研究领域:
物理化学
·
流体性质研究
·
高压物性分析
·
化工热力学
✓ 已验证
DOI
高影响因子
危险品化学品经营许可证（带存储）