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JOURNAL OF MATERIALS SCIENCE-MATERIALS IN ELECTRONICS · 2016 ·Vol. 28 ·期 1 ·487-492 · IF 1.798

Effects of Mn doping on dielectric and ferroelectric characteristics of lead-free (K, Na, Li)NbO3 thin films grown by chemical solution deposition

Zhang Xinxiu,Liu Jinsong,Zhu Kongjun,Wang Jing,Li Ziquan,Qiu Jinhao

High-quality lead-free piezoelectric x Mn-doped (K 0.48 Na 0.52 ) 0.985 Li 0.015 NbO 3 films (KNLN; x  = 0, 0.01, 0.02, 0.03) were successfully deposited onto Pt(111)/Ti/SiO 2 /Si(100) substrates by sol–gel method. Effects of Mn substitution on the microstructure, dielectric properties, ferroelectric properties, and leakage current of the KNLN films were investigated in detail. Mn-doping can significantly improve the ferroelectric properties and decrease the leakage current of KNLN films. Optimal dielectric properties were obtained in films doped with 2 mol% Mn, whose dielectric constant and dielectric loss at 1 kHz were 875 and 0.030, respectively. In addition, well-saturated ferroelectric P - E hysteresis loop with large remanent polarization (2 P r ) and coercive field ( E c ) of 22.5 μC/cm 2 and 65 kV/cm were obtained in 2 mol% Mn-doped KNLN film at an applied electric field of 200 kV/cm.

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JOURNAL OF CHEMICAL AND ENGINEERING DATA · 2010 · IF 1.695

Measurement and Correlation of the Phase Diagram Data for PPG400 + (K3PO4, K2CO3, and K2HPO4) + H2O Aqueous Two-Phase Systems at T = 298.15 K

Xueqiao Xie,Juan Han,Yun Wang,Yongsheng Yan,Guowu Yin,Weisheng Guan

Experimental liquid−liquid equilibrium (LLE) binodal curves, tie-lines, and plait points were obtained for the PPG400 + salt (K3PO4, K2CO3, and K2HPO4) + H2O systems at T = 298.15 K. The Merchuk equation was used to correlate the binodal data of the investigated systems. Also, the effect of salt on the phase-forming ability has been studied based on the effective excluded volume (EEV) values from fitting the binodal data to the binodal model developed by Guan, and the salting-out abilities of the anions are in the order of PO43− > HPO42− > CO32−, which may be related to the Gibbs free energy of hydration of the ions (ΔhydG). Furthermore, tie-line compositions were correlated using the Setschenow-type, Othmer−Tobias, and Bancroft equations, and the parameters are reported.

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JOURNAL OF COLLOID AND INTERFACE SCIENCE · 2022 · IF 9.965

FeP Coated in Nitrogen/Phosphorus Co-doped Carbon Shell Nanorods Arrays as High-Rate Capable Flexible Anode for K-ion Half/Full Batteries

Yujie Yang,Linlin Wang,Suyuan Zeng,Kangning Zhao,Qian Wu,Li Yan,Haoyu Tian,Zheng Jiao,Jiujun Zhang

Building a proper flexible electrode with high cycling stability, rate capacity and initial coulombic efficiency (ICE) for flexible potassium-ion batteries (PIBs) remains a challenge. Herein, nitrogen/phosphorus co-doped carbon coated FeP nanorods arrays on carbon cloth (FeP@N, P C NRs/CC) as high-rate capable flexible self-supporting anode was successfully fabricated. The composite electrode combines the advantages of FeP nanorods arrays (FeP NRs), carbon cloth (CC) and N, P co-doped carbon shell (N, P–C), which comprehensively improves the electrochemical stability of the flexible electrode, while the open space between FeP nanorods can facilitate electrolyte impregnation and enhance K + transfer, thus effectively elevating the corresponding rate capability. For the FeP@N, P C NRs/CC electrode, it delivers a reversible capacity of 388.8 mA h g −1 at 0.5 A g −1 up to 400 cycles. Even at 1.5 A g −1 , it can still achieve a remarkable rate capacity of 346.9 mA h g −1 . Moreover, the assembled soft-packed cell can always light the LED lights when it is bent at different angles, which exhibits excellent mechanical flexibility.

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INTERNATIONAL JOURNAL OF PATTERN RECOGNITION AND ARTIFICIAL INTELLIGENCE · 2023 · IF 1.5

Evaluation Quality of Chinese Baijiu Using GC–MS Based on SPCA and Neural Network

Mingju Chen,Anle Cui,Zhengxu Duan,Xingzhong Xiong

Currently, evaluating the quality of strong-flavor Baijiu (SFB) heavily relies on subjective sensory analysis, resulting in large deviations in evaluation. However, as there are no existing evaluation criteria for SFB quality, this study aimed to extract trace components and design an evaluation model using gas chromatography–mass spectrometry (GC–MS). First, the key component data was analyzed using principal component analysis (PCA) and sparse principal component analysis (SPCA) to identify the most important principal components that represent the SFB samples. Second, KNN, DT, SVM, and BP analyses were then employed on the principal component data to determine the grade of the SFB samples. Finally, a price prediction model based on SPCA+BP was established to objectively evaluate the quality and price of SFB. The experimental results show that the proposed method can effectively realize the distinction and price prediction of SFB.

研究领域: 食品科学 · 分析化学 · 机器学习 · 化学计量学
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NEW JOURNAL OF CHEMISTRY · 2026 · IF 2.5

K 7 MgY 2 (B 5 O 10 ) 3 : A novel ultraviolet nonlinear optical crystal based on the [B 5 O 10 ] functional unit

Haozhen Liu,Shiyu Du,Paipai Zhang,Jiawei Zhao,Yanna Chen,Donghai An

A high-performance ultraviolet (UV) nonlinear optical (NLO) material requires three essential characteristics: a short UV absorption edge, a strong secondharmonic generation (SHG) response, and favorable NLO coefficients. In this study, a novel rare-earth borate compound with the formula K 7 MgY 2 (B 5 O 10 ) 3 was successfully synthesized using a high-temperature solution method combined with chemical cosubstitution. The crystal adopts a non-centrosymmetric (NCS) structure (space group R32) and exhibits an SHG intensity 1.3 times that of potassium dihydrogen phosphate (KDP) under 1064 nm laser irradiation. Its UV cutoff edge is determined to be 290 nm, demonstrating exceptional potential for UV optical applications. Combined experimental and theoretical analyses reveal that the synergistic interplay between polarizable [B 5 O 10 ] groups and heterovalent K + /Mg 2+ /Y 3+ substitution underpins its superior NLO performance.

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JOURNAL OF CHEMICAL AND ENGINEERING DATA · 2026 · IF 2.4

Measurement of Thermal Diffusivities and Fick Diffusion Coefficients of n–Heptane + n–Decane Binary Mixtures from (298.15–523.15) K and Up To 10 MPa

Yuhang Chen,Long Cheng,Zhao Lei,Yuqi Su,Maogang He,Ying Zhang

Transport properties, including thermal diffusivity and the Fick diffusion coefficient, are key parameters for optimizing chemical processes and ensuring production safety. In this work, the thermal diffusivity and Fick diffusion coefficient of the n–heptane + n–decane binary mixture were measured by dynamic light scattering at n–heptane amount fractions from 0.25 to 0.75. Measurements were performed along five isobars at 0.1, 2.5, 5.0, 7.5, and 10 MPa. Thermal diffusivity was determined over 298.15–523.15 K, except at 0.1 MPa, where the temperature range was limited to 298.15–373.15 K, while Fick diffusion coefficients were obtained from 298.15 to 373.15 K. The relative expanded uncertainties in thermal diffusivity and Fick diffusion coefficient were estimated to be 0.094 and 0.146, respectively, at a confidence level of 0.95 (k = 2). The effects of temperature, pressure, and composition on thermal diffusivity and Fick diffusion coefficient were analyzed, aiming to offer guidance for optimizing the design of industrial processes and ensuring operational safety and reliability.

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JOURNAL OF CHEMICAL AND ENGINEERING DATA · 2026 · IF 2.4

Solid–Liquid Equilibrium Solubility Determination, Modeling, and Thermodynamic Analysis of Ciclopirox Olamine in Ten Monosolvents and Binary Mixed Solvents from 283.15 to 328.15 K

Yue Zhang,Guoqiang Zhou,Jiacheng Li,Zijie Zhang,Jiaqi Li,Yufei Zhang,Gang Shu,Hualin Fu,Funeng Xu,Juchun Lin,Haohuan Li,Wei Zhang

CPO (ciclopirox olamine) is a broad-spectrum antifungal agent, and there is currently a lack of research on its solubility. The solubility of CPO in ten monosolvents and binary solvents at different ratios was determined using the static method at temperatures ranging from 283.15 to 328.15 K. The dissolution behavior consistently followed the pattern of increasing solubility with rising temperature. Experiment demonstrated that CPO exhibited the highest solubility in n-octanol and the lowest solubility in ethyl acetate. Furthermore, the experimental results were interpreted using analysis of solvent polarity, Hansen solubility, and KAT-LSER equations and concluded that the favorable solvents of CPO tend to possess strong hydrogen-bonding donor properties, moderate polarity, and strong solvent interaction capability. The experiment characterized CPO using Differential Scanning Calorimetry (DSC). And, X-ray diffraction (XRD) measurements indicated no changes in crystal structure during the experimental process. Solubility data for the ten monosolvents were correlated using Apelblat, Van’t Hoff, Jouyban, and non-random two-liquid (NRTL) equations. Binary solvent solubility data were correlated using Apelblat, Van’t Hoff, Grafting Solvation Model (GSM), Non-Random Two-Liquid (NRTL), Sun, and Apelblat–Jouyban–Acree equations. The RMSD and ARD values for all data are relatively small, indicating excellent structural model fitting.

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Russian Journal of Physical Chemistry A · 2026 ·Vol. 100 ·期 7 ·1360-1365 · IF 0.7

Densities and Viscosities of Binary Mixtures of Cyclohexene Oxide with 1-Butanol, 1-Pentanol, 1-Hexanol, and 1-Heptanol from 298.15 to 313.15 K

Xiaoru Pan,Kong Xiangyan,Li Dan

In this experiment, the viscosities and densities of binary systems consisting of cyclohexene oxide with 1-butanol, 1-pentanol, 1-hexanol, 1-heptanol were measured at different temperatures ranging from 298.15 to 313.15 K. Based on these data, excess molar volumes and viscosity deviations were calculated. The excess properties were correlated using the Redlich–Kister equation.

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JOURNAL OF CHEMICAL AND ENGINEERING DATA · 2026 · IF 2.4

Phase Equilibrium of (Na+, Cs+//Cl––H2O) System at 313.15 K: Focus on [Cs1– x (Na·H2O) x ]Cl Solid Solution

Linxue Yan,Tianyi Wang,Kangrui Sun,Kangnan Cheng,Jiantuan Jia,Yafei Guo,Tianlong Deng

Abstract The isothermal dissolution equilibrium method was employed to investigate the phase equilibrium and phase diagram of the ternary system (Na+, Cs+//Cl––H2O) at 313.15 K. This ternary system features the coexistence of double salts and solid solutions. The solid solution, formulated as ([Cs1–x(Na·H2O)x]Cl), was characterized by wet-residue analysis, X-ray diffraction, scanning electron microscopy, energy-dispersive spectroscopy, and thermogravimetry–differential scanning calorimetry (TG–DSC). Three representative equilibrium compositions of the solid solution and their respective proportions within the crystallization region were determined, and the results were compared with those of the two pure salts (NaCl and CsCl). The physicochemical property diagrams indicate that both density and refractive index increase with rising cesium chloride content. A comparative phase diagram of the ternary system (Na+, Cs+//Cl––H2O) was constructed over the temperature range from 298.15 to 318.15 K. The results show that as temperature increases, the crystallization region of NaCl expands, whereas the crystallization regions of CsCl·2NaCl·2H2O and [Cs1–x(Na·H2O)x]Cl simultaneously contract.

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JOURNAL OF CHEMICAL AND ENGINEERING DATA · 2026 · IF 2.1

Investigation of the Solubility Behavior of Tetramethylthiuram Disulfide in 12 Pure Solvents from 283.15 to 323.15 K: Solid-Liquid Equilibrium Determination and Model Correlation

Jingxuan Qiu,Yunchun Guo,Huiliang Wang,Libo Wang,Cen Yao,Jing Lin,Cong Liu,Chaoqun Zhang

This work measured the solubility of tetramethylthiuram disulfide in methanol, ethanol, n-propanol, isopropanol, sec-butanol, n-pentanol, acetonitrile, acetone, 2-butanone, methyl acetate, ethyl acetate, and water by utilizing a static gravimetric method covering the temperature range from 283.15 to 323.15 K under atmospheric pressure. The results demonstrate that the solubility tends to increase monotonously with increasing temperature in each studied solvent. The highest solubility (52.17 × 10–3) is observed in acetone at 323.15 K, and the lowest value (0.1180 × 10–3) is found in sec-butanol at 283.15 K. The solubility of TMTD is roughly ranked as ethanol > sec-butanol > n-pentanol > n-propanol > methanol > isopropanol in alcoholic solvents and acetone > 2-butanone > acetonitrile > methyl acetate > ethyl acetate > water in nonalcoholic solvents. Moreover, the Apelblat and Yaws models were used to correlate the solubility data. The outcomes of deviations and AIC values suggest that the Yaws model could give better fitting effects compared with the Apelblat model. This investigation not only fills the gap in the essential data of solubility for TMTD but also provides a theoretical basis for optimization and solvent screening in its separation and purification process in the pharmaceutical industry.

CAS / MDL: 137-26-8
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JOURNAL OF CHEMICAL AND ENGINEERING DATA · 2022 · IF 3.119

Experimental Investigation of Binary (Solid + Liquid) Equilibrium and Dissolution Property Analysis for Acetoacetanilide in 16 Organic Solvents at Temperatures from 272.25 to 324.15 K

Yajun Li,Kui Wu

The solid–liquid phase equilibrium of acetoacetanilide (AAA) in 16 solvents, including 8 alcohols, 4 ketones, 3 esters, and acetonitrile, from 272.25 to 324.15 K under atmospheric pressure was measured by the gravimetric method. The solid–liquid equilibrium curve of AAA indicated an increasing trend with the increase in temperature. The highest solubility value is found in cyclopentanone, and the solvent polarity is a critical factor influencing the solubility behaviors but not the only one. Moreover, the modified Apelblat model, λh model, NRTL model, and Wilson model were used to correlate the measured data. The modified Apelblat model showed the most satisfactory agreement. Furthermore, the dissolution thermodynamic properties (ΔdisS, ΔdisH, and ΔdisG) of AAA in selected solvents were estimated on the basis of thermodynamic relations and the regressed Wilson model. The binary equilibrium data and dissolution properties reported in this work can provide the fundamental thermodynamic data for the synthesis, separation, and further study of AAA in industry as well as the academic arena.

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