JOURNAL OF SOLUTION CHEMISTRY
·
2022
·Vol. 52
·期 1
·91-104
·
IF 2
Yu Yingmin,Yi Lingxiao,Wei Jiajun,Guo Hongyue,Li Min
The liquid–liquid equilibrium (LLE) data for ethylene glycol + 2-ethyl-1-hexanol + { n -hexane, 1-hexene, 2-propyl-1-heptanol, and isopropyl ether} were measured at 298.2 K under 101.3 kPa. The distribution constant ( D ) and selectivity ( S ) of 2-ethyl-1-hexanol in the systems were calculated to analyze the extraction ability of the four extractants. The Bachman and Othmer–Tobias equations were chosen to examine the experimental LLE data. The linear correlation coefficient R 2 is greater than 0.98, indicating that the linear fitting of the experimental data is good. The data were regressed by thermodynamic models NRTL and UNIQUAC. The deviation between experimental data and simulated data was calculated by the root mean square deviation (RMSD) and the absolute average deviation (AAD). The RMSD is less than 0.79% and the AAD is less than 0.46%. It indicates that the two models are suitable for the regression of the system.
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JOURNAL OF MOLECULAR LIQUIDS
·
2021
·
IF 6.165
Zilong Cui,Liang Yao,Jingling Ye,Zhi Wang,Yonghong Hu
In the research, the solubility of curcumin was studied by static equilibrium method combined with HPLC. The solubility data of curcumin was measured in twelve pure solvents (dimethyl sulfoxide, tetrahydrofuran, acetone, ethyl acetate, isopropanol, acetonitrile, 1-butanol, ethanol, methanol, xylenes, n-hexane and n-heptane) and three binary solvent mixtures (acetone + tetrahydrofuran, acetonitrile + tetrahydrofuran and n-hexane + tetrahydrofuran) at different temperature (T = 278.15–323.15 K) under atmospheric pressure. The solubility values demonstrate that the solubility increased with the increase of temperature in all solvents. The modified Apelblat model and the Buchowski-Ksiazczak λh model were used to fitted the solubility data in pure solvents, the combined nearly ideal binary solvent/ Redlich-Kister (CNIBS/R-K) model and the Jouyban-Acree model were employed to adopt the solubility data in binary solvent mixtures. The RAD max of the modified Apelblat model and the λh model are 2.621% and 5.831%, the RMSD max are 6.9 × 10 -4 and 1.62 × 10 -3 , respectively. The RAD max of the CNIBS/R-K model and the Jouyban-Acree model are 2.249% and 4.901%, the RMSD max are 9.33 × 10 -3 and 3.67 × 10 -3 . Meanwhile, the KAT-LSER model was used to explore the effect of the solvation of curcumin. The fitting results of all equations prove the accuracy of the experimental data, these solubility data are very important for optimizing the extraction process and recrystallization of curcumin.
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Journal of Materials Chemistry A
·
2020
·Vol. 8
·期 39
·20666-20676
·
IF 11.301
Die Su,Li Liu,Zhixiao Liu,Jing Dai,Jiaxing Wen,Min Yang,Sidra Jamil,Huiqiu Deng,Guozhong Cao,Xianyou Wang
Ta-doped TiO2/C nanofibers are synthesized by an electrospinning method. First-principles calculations reveal that the Ta dopant can lower the Li/K diffusion barrier, which is beneficial for improving the rate capability. According to the electronic structure analysis, the dopant can obviously shift the conduction band of TiO2 downward, resulting in significantly improved electronic conductivity. Ta doping causes phase transformation from anatase to rutile, and increases the specific surface area. The well-designed rutile Ta-doped TiO2/C nanofibers show outstanding electrochemical properties in both Li-metal half cells and K-metal half cells, which are much better than those of pristine anatase TiO2/C nanofibers. At 2 A g−1, 5% rutile Ta-doped TiO2/C nanofibers could deliver high reversible specific capacities of 399 mA h g−1 in Li-ion batteries after 1000 cycles whereas deliver 148 mA h g−1 in K-ion batteries after 800 cycles. When assembled, the full cells with 5% rutile Ta-doped TiO2/C nanofibers as the anode and commercial LiFePO4/perylene-3,4,9,10-tetracarboxylic dianhydride as the cathode show excellent cycling performance and can light up more than 18 LEDs. These results demonstrate that Ta-doped TiO2/C nanofibers are a promising anode material for Li/K ion batteries.
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FLUID PHASE EQUILIBRIA
·
2026
·
IF 2.7
Shuo Wang,Jingjing Zhou,Jingjian Li,Yanmin Song,Bowen Zhang,Dandan Han,Junbo Gong
As a key intermediate in the synthesis of anticancer agents, 5′-O-Dimethoxytrityl-N-benzoyl-deoxycytidine (Bz-Dmt-dC) usually presents as a solvate and its purity plays a critical role in the production process. To obtain high purity products quickly and efficiently via crystallization, the solubility data of the compound must first be determined. Therefore, under the premise of ensuring no phase transitions during the measurement process, the solubility of solvates formed by Bz-Dmt-dC in three binary solvent systems (acetonitrile + water, acetone + water, and THF + water) were experimentally determined over the temperature range of 278.15 to 313.15 K at atmospheric pressure using the gravimetric method. The experimental results showed that, for a given solvent type and composition, the solubility of Bz-Dmt-dC increased with increasing temperature. The solubility data of Bz-Dmt-dC were correlated using the modified Apelblat, λ h, and NRTL equations. Among these, the modified Apelblat model provided the best fitting result, as indicated by the lowest average relative deviation (ARD) values of 0.7%.
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产品关联
DOI
高影响因子
JOURNAL OF CHEMICAL THERMODYNAMICS
·
2015
·
IF 2.679
Lingxiao Chen,Jiayi Chen,Zihao Song,Guokai Cui,Yingjie Xu,Xuhong Wang,Jian Liu
Densities and viscosities of binary mixtures of 8-hydrogen-1,8-diazabicyclo[5,4,0]-undec-7-enium imidazolide ([HDBU]IM) and 8-butyl-1,8-diazabicyclo[5,4,0]-undec-7-enium imidazolide ([BDBU]IM) ionic liquids (ILs) with water were measured at temperatures from T = (293.15 to 313.15) K. Excess molar volumes V E and viscosity deviations Δ η of the mixtures were calculated to study the intermolecular interactions and structural factors between ILs and water. The results show that the V E values of the two mixtures are negative over the whole composition range, while the Δ η values have positive deviations, indicating that the hydrogen bonding interactions between IL and water are dominant in the mixtures. Moreover, the absolute values of V E (| V E |) of {[HDBU]IM (1) + H 2 O (2)} system are larger than those of {[BDBU]IM (1) + H 2 O (2)} system at the same condition, indicating that the hydrogen bonding interactions between [HDBU]IM and water are stronger than those between [BDBU]IM and water. Both | V E | and Δ η values of the mixtures decrease with the increasing temperature, resulting from the decreasing the hydrogen bonding interactions between IL and water. Other derived properties of the studied systems, such as the apparent molar volumes , partial molar volumes, excess partial molar volumes, Gibbs free energy of activation for viscous flow , and excess Gibbs free energy of activation for viscous flow were also calculated from the experimental values.
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INORGANIC CHEMISTRY
·
2021
·
IF 5.165
Man-Man Chen,Sheng-Hua Zhou,Wenbo Wei,Xin-Tao Wu,Hua Lin,Qi-Long Zhu
Despite the fact that nonlinear optical (NLO) crystals such as AgGaS2 and AgGaSe2 have been widely used in the infrared (IR) range due to their large second harmonic generation (SHG) coefficients and wide range of IR transparency windows, the small laser-induced damage threshold (LIDT) remains a great issue hindering their high-power applications. Herein, three noncentrosymmetric (NCS) chalcogenides AZn4Ga5Se12 (A = K, Rb, or Cs) are successfully obtained through an appropriate flux method after the extensive design and synthesis of the A/Zn/Ga/Q system. Single-crystal X-ray diffraction data demonstrate that they adopt trigonal space group R3 (No. 146) with three-dimensional diamond-like frameworks composed of [M9Se24] layers (M = Zn or Ga) stacking in the same direction and filled by charge-balancing A+ cations. Noticeably, they all exhibit strong powder SHG responses (2.8–3.7 × AgGaS2) and amazing LIDTs (19.2–23.4 × AgGaS2). In addition, theoretical calculations are performed to further determine the relationship between NCS structures and NLO properties. This work provides effective solutions for overcoming the trade-off between strong SHG and high LIDT in IR-NLO materials.
研究领域:
材料科学
·
光学材料
·
非线性光学
·
红外光子学
·
晶体化学
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高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2015
·
IF 2.037
Xiaopo Wang,Xiaojie Wang,Bo Song
Experimental density and viscosity data for binary mixtures of 2,2,4-trimethylpentane with 1-propanol, 1-pentanol, 1-hexanol, and 1-heptanol at atmospheric pressure over the entire composition range at temperatures from (298.15 to 323.15) K are reported. Excess molar volumes and viscosity deviations of the mixtures were calculated from the experimental data and correlated using the Redlich–Kister equation. The optimized sets of parameters of the equation at each temperature were obtained by the least-squares method.
研究领域:
热力学
·
化学工程
·
物理化学
·
流体混合物
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JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2024
·
IF 2
Caixiong Quan,Yi Hua,Liwei Zhuang,Xiaowang Wu,Yifa Du,Ruyi Lin,Yong Ma,Qingfen Meng,Lingzong Meng
The solid-liquid equilibria of the quinary system LiCl–NaCl–CaCl2–H3BO3–H2O with sodium chlorine saturated at 323.15 K were studied by the isothermal dissolution equilibrium method. Based on the measured experimental solubility data, the dry-salt phase diagram, water content diagram, and sodium chloride content phase diagrams were plotted. The dry-salt phase diagram in this system consists of one invariant point saturated with LiCl·H2O, CaCl2·2H2O, and H3BO3, three univariant curves, and three crystallization regions saturated with NaCl corresponding to CaCl2·2H2O, LiCl·H2O, and H3BO3. No solid solution was found in the system. The areas of crystallization zones increase according to the above order. The Jänecke index of H2O and NaCl and the refractive index change regularly with the Jänecke index of LiCl. The calculated refractive indices agree well with the experimental data using the semiempirical equation. These results on phase diagrams of the quinary system can supply theoretical references for lithium salts and boric acid separation from calcium chloride-type brine.
研究领域:
化学工程
·
溶液化学
·
相平衡
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无机化学
·
矿物加工
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Materials
·
2026
·Vol. 19
·期 10
·1954
·
IF 3.7
Jialeen Sairike,Kamale Tuokedaerhan,Serikbek Sailanbek,Zhengang Cai,Haotian Yang
HighlightsSystematic elucidation of annealing-temperature-dependent evolution of oxygen vacancies, M–O network densification, and crystallisation behaviour in sol–gel HfO2, directly correlating with TFT electrical performance and band alignment.All-solution-processed HfO2high-K gate insulator and IZO active layer are achieved via the sol–gel method, eliminating expensive vacuum equipment.The optimised 85 nm HfO2insulator annealed at 400 °C delivers outstanding device metrics (Ion/off= 1.11 × 106, SS = 0.53 V/dec, Vth = −1.1 V), proving that solution-derived HfO2is a viable and scalable alternative to conventional SiO2for TFT miniaturisation without performance trade-off.With the continuous advancement of display technology and advanced integrated circuits, oxide thin-film transistors (TFTs) have become core devices due to their high mobility, low leakage current and excellent large-area uniformity. To achieve low power consumption, high performance and high reliability, the introduction of high-k gate insulating layers is crucial. Among the numerous high-k materials, hafnium oxide (HfO2) has attracted significant attention due to its excellent dielectric properties and good compatibility with CMOS processes. In this paper, uniform and dense HfO2films were successfully fabricated using the sol–gel method to serve as insulating layers for TFT devices. Through experimental analysis, 400 °C was determined to be the optimal annealing temperature. At this temperature, the effects of replacing SiO2with HfO2as the insulating layer, as well as the impact of reducing film thickness, on TFT devices were investigated. Ultimately, at an annealing temperature of 400 °C, an 85 nm-thick HfO2film achieved the highest on/off current ratio (Ion/off= 1.11 × 106), the lowest subthreshold swing (SS = 0.53 V/dec), the lowest threshold voltage (Vth = −1.1 V) and the lowest off-current ratio (Ioff= 2.5 × 10−12A). It was confirmed that replacing SiO2with HfO2as the insulating layer is a viable approach for reducing the volume of TFT devices.
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PubMed
高影响因子
JOURNAL OF SOLUTION CHEMISTRY
·
2025
·Vol. 55
·期 2
·290-305
·
IF 1.3
Cui Rui-Zhi,Nie Guo-Liang,Ren Hong-Bao,Yang Qiu-Ye,Li Wu
Based on mother liquor rich in lithium, strontium and bromine obtained from the brine of underground oil–gas field in Qaidam Basin after pre-treatment, the isothermal dissolution equilibrium method was used to study the stable solid–liquid equilibria and phase diagrams of the quinary system LiBr − NaBr − KBr − SrBr 2 − H 2 O and its subsystems at 298.15 K. The solubilities of solids in each system were determined, respectively, and the equilibrium solid phases were determined. In order to clearly reflect the regularities and characteristics of phase equilibria of multi-component systems, the corresponding phase diagrams were also plotted and analyzed. The Pitzer model for the quinary system was parameterized by using relevant experimental thermodynamic data. The solubilities of solids in this quinary system and its subsystems were calculated and compared with experimental results. The results not only help to reveal the thermodynamic behavior of relevant bromides in the process of brine concentration, but also provide some theoretical support for the comprehensive utilization of its brine resources.
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JOURNAL OF THE EUROPEAN CERAMIC SOCIETY
·
2026
·
IF 6.3
Decheng Kong,Zhanhui Peng,Qizhen Chai,Yuanhao Wang,Di Wu,Lingling Wei,Pengfei Liang,Zupei Yang,Xiaolian Chao
In recent years, there have been many significant breakthroughs in the research of potassium sodium niobate (KNN) based piezoelectric ceramics, positioning them as promising candidates for high-temperature piezoelectric device applications. To achieve synergistic optimization of high piezoelectric performance and high Curie temperature, the composition was designed to lie within the orthorhombic-tetragonal (O-T) phase coexistence region at room temperature by regulating the K/Na ratio, while the overall lattice stability was preserved. Our results show that the 0.96(KₓNa 1-x )(Nb 0.98 Sb 0.02 )O 3 -0.04Bi 0.5 Li 0.5 HfO 3 ceramic at x = 0.48 exhibits a high inverse piezoelectric constant of ~1383 pm/V and a strain of 1.32%, which are primarily attributed to the reduced polarization switching barrier enabled by the O-T phase coexistence at room temperature. Meanwhile, the local structural heterogeneity introduced by Sb 5+ and Hf 4+ doping further enhances the electrical strain response. Notably, the ceramic maintains a high Curie temperature of 276 °C, governed by the intrinsic lattice stability without significant compromise, confirming its great potential for high-temperature piezoelectric device applications.
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ACS Applied Materials & Interfaces
·
2026
·
IF 7.8
Xiaoyu Gui,Weiliang Li,Wenbo Liu,Zhongyuan Pei,Zhiqiang Zhao,Canrong Cao,Guifa Long,Kai Wan,Zhiyong Fu,Zhenxing Liang
Despite the high specific capacity of P′2-NaxMnO2 (NMO), its practical application is severely hindered by rapid capacity decay caused by drastic structural evolution. Herein, a P′2-[Na0.57KxZn0.10-x]Mn0.90Ti0.10O2 (NKxZMTO) cathode featuring K+ and Zn2+ as pillar cations is developed to mitigate O2–-O2– electrostatic repulsion and suppress detrimental phase transition. Physicochemical characterization and theoretical calculations reveal that K+ and Zn2+ co-occupy the Nae site, acting as inert pillars in the Na layers. While NMO undergoes an abrupt and irreversible OP4-P′2-P″2 triphase transition, NK0.02ZMTO maintains a high fraction of P layers within the OP4 phase and exhibits a mild and reversible P′2-OP4 biphase transition. This stabilized interlayer evolution arises from the combined effects of K+ and Zn2+: K+ enlarges the Na layer spacing owing to its large ionic radius, while Zn2+ reduces the electron density on O2– through its high positive charge, thereby simultaneously mitigating O2–-O2– electrostatic repulsion in accordance with Coulomb’s law. Benefiting from this structural stabilization, NK0.02ZMTO delivers superior cyclability (99.2% capacity retention after 150 cycles at 100 mA g–1) and a high specific capacity of 180 mAh g–1 at 10 mA g–1. This work provides an innovative strategy for designing highly stable cathode materials.
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高影响因子
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