CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY
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2021
·
IF 2.017
Lilian Yang,Guishang Pei,Youling Hou,Yuntao Xin,Xuewei Lv
Sodium hexatitanate (Na 2 Ti 6 O 13 ) was reported as an anode side material for Sodium ion batteries owing to low material cost, high energy efficiency, good thermal stability and long cycle life. Therefore, studies pertaining to the thermodynamic properties of Na 2 Ti 6 O 13 are indispensable for improving its service performance. However, a significant number of literature reviews concerning thermodynamic properties indicated that heat capacity of Na 2 Ti 6 O 13 at high temperatures should be confirmed. In this study, the 99.5% purity of Na 2 Ti 6 O 13 sample was successfully prepared via solid-state reaction using TiO 2 and Na 2 CO 3 as initial materials. Heat capacity of the as-synthesized samples in the temperature range of 573–1523 K was measured using a multi-high temperature calorimeter 96 line. Heat capacity, Cp, from 298.15 to 1573 K was modeled as a polynomial formula with a prediction error of 3%: Cp = 474.08143 + 0.06286T-8.04068 × 10 6 T −2 (J⋅mol −1 ⋅K −1 ). In combination with the low-temperature data, heat capacity of Na 2 Ti 6 O 13 from 0 to 1573 K was given in present study. Values of changes in enthalpy, Gibbs free energy and entropy in the temperature range of 298.15–1573 K were calculated based on the temperature dependence of heat capacity.
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DOI
高影响因子
REACTIVE & FUNCTIONAL POLYMERS
·
2020
·
IF 3.333
Da Xu,Chenyi Zhou,Yunhe Zhang,Jinhui Pang,Zhenhua Jiang,Haibo Zhang
Polyaramid is an indispensable high-performance material for its excellent thermal stability and mechanical strength . But its ultra high melting temperature which is higher than its decomposition temperature and the strong solvent resistance makes it difficult to process. In this work, we prepared a new series of soluble polyamides , poly(arylene ether naphthalene amide)s (PENA), by introducing both naphthalene and phenyl ether groups to the main chain of the polyaramid. The relationship between phenyl ether content and properties of PENAs were investigated. These PENAs have good solubility and can be made into strong and tough films by solvent casting method. Among them, poly(mono arylene ether naphthalene amide)PMENA, which contains mono-ether structure in the polymerization unit, shows the best performance with a tensile strength of 118 MPa and an elongation at break of 45%. Furthermore, PMENA also has good and stable dielectric properties with a high permittivity of 4.7, and low dielectric loss of 0.03 at 1 kHz, at room temperature .
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DOI
高影响因子
Frontiers in Pharmacology
·
2021
·
IF 5.811
Zou Meina,Chen Yanrong,Zheng Zongji,Sheng Shuyue,Jia Yijie,Wang Xiangyu,Ren Shijing,Yang Yanling,Li Xiaomin,Dong Wenhui,Guan Meiping,Zhang Qian,Xue Yaoming
High-salt intake leads to kidney damage and even limits the effectiveness of drugs. However, it is unclear whether excessive intake of salt affects renal tubular energy metabolism and the efficacy of dapagliflozin on renal function in diabetic kidney disease (DKD). In this study, we enrolled 350 DKD patients and examined the correlation between sodium level and renal function, and analyzed influencing factors. The results demonstrated that patients with macroalbuminuria have higher 24 h urinary sodium levels. After establishment of type 2 diabetes mellitus model, the animals received a high-salt diet or normal-salt diet. In the presence of high-salt diet, the renal fibrosis was aggravated with fatty acid metabolism dysregulation. Furthermore, Na+/K+-ATPase expression was up-regulated in the renal tubules of diabetic mice, while the fatty acid metabolism was improved by inhibiting Na+/K+-ATPase of renal tubular epithelial cells. Of note, the administration with dapagliflozin improved renal fibrosis and enhanced fatty acid metabolism. But high salt weakened the above-mentioned renal protective effects of dapagliflozin in DKD. Similar results were recapitulated in vitro after incubating proximal tubular epithelial cells in high-glucose and high-salt medium. In conclusion, our results indicate that high salt can lead to fatty acid metabolism disorders by increasing Na+/K+-ATPase expression in the renal tubules of DKD. High salt intake diminishes the reno-protective effect of dapagliflozin in DKD.
研究领域:
肾病学
·
内分泌学
·
药理学
·
代谢学
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DOI
PubMed
高影响因子
SENSORS AND ACTUATORS A-PHYSICAL
·
2020
·
IF 2.904
Xuefei Su,Daqi Chen,Nan Li,Adrian Carl Stevenson,Guang Li,Ruifen Hu
Wireless sensor technology is a facile way of realizing low cost and miniaturized device for the detection of the volatile organic compounds (VOCs). A wireless electrodeless quartz crystal microbalance with dissipation (WE-QCM-D) sensor array was developed by using a single sensor working in a multi-resonance mode, which obtained an acoustic spectra of the quartz crystal at four harmonics (6 MHz, 18 MHz, 30 MHz and 42 MHz). Multi-responses (frequency shift, and energy dissipation) of WE-QCM-D sensor array were obtained via a ring-down mode and employed as discrimination factors for VOCs. The gas discrimination capability of the WE-QCM-D sensor array has been tested by coating a 100 μ g polyvinylpyrrolidone film on the quartz disc and achieved an optimal recognition rate of 97.5 % with K nearest neighbor algorithm. The results indicate that the single element WE-QCM-D sensor array could be a promising way to realize compact and low-cost VOCs monitoring systems.
研究领域:
传感器与执行器
·
环境监测
·
材料科学
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DOI
高影响因子
JOURNAL OF SEPARATION SCIENCE
·
2024
·Vol. 47
·期 21
·e70012
·
IF 2.8
Zhongping Huang,Qingqing Zhu,Yu Han,Ying Mo,Junhao Zhang,Huijun Liu
Using poly(styrene-divinylbenzene) microspheres as stationary phase matrix and mercaptosuccinic acid as a modifier, a new weak cation exchange resin was synthesized by thiol click reaction. The conditions for thiol-chlorine click reaction and thiol-alkene click reaction were optimized. The surface morphology and chemical composition of the modified microspheres were characterized by scanning electron microscopy, Fourier-transform infrared spectroscopy, and an elemental analyzer. The stationary phase can achieve the separation of six common cations within 25 min. A homemade weak cation chromatographic column was used to determine the impurities of Na + and K + and the content of tetramethylammonium ions in tetramethylammonium hydroxide samples. The method showed a good linear correlation in the range of 0.1–500.0 mg/L with correlation coefficients of 0.9998–0.9999, and the limits of detection (signal-to-noise ratio ≥ 3) were 0.01–0.20 mg/L. The intra-day relative standard deviations (RSDs) were in the range of 1.1%–4.4%, and the inter-day RSDs were in the range of 0.8%–14.8%. The spiked recoveries were in the range of 91.92%–119.86%. The results showed that the prepared stationary phase exhibited effective separation ability and good reproducibility, which was suitable for the analysis of the impurities of Na + , K + , and the content of tetramethylammonium in the tetramethylammonium reagents.
研究领域:
分析化学
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材料科学
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产品关联
DOI
PubMed
高影响因子
CHEMISTRY OF MATERIALS
·
2025
·
IF 7
Yi Yi,Pengxiang Zhang,Yixin Shen,Junhui Tan,Bao-Wen Li
Solution-processable high-k perovskite nanosheets show considerable potential for applications in printed electronics due to their unique structural properties and exceptional physical characteristics. However, their dispersibility and compatibility in various organic solvents remain insufficiently understood, with a lack of systematic investigation, which restricts their broader application potential. In this study, the dispersion behavior of high-k perovskite nanosheets, specifically Ca2Nb3O10 (CNO) and Ca2NaNb4O13 (CNNO), was examined in 20 different organic solvents. By correlating the physicochemical properties of these solvents, including surface tension, dielectric constant, and empirical solvent parameters, with Hildebrand and Hansen solubility models, we identified the underlying solvent–nanosheet interaction mechanisms responsible for dispersion stability. Polar protic solvents, such as water and methanol (MeOH), as well as polar aprotic solvents, like dimethyl sulfoxide (DMSO), acetonitrile (ACN), N,N-dimethylformamide (DMF), propylene carbonate (PC), and N-methyl-2-pyrrolidone (NMP), facilitate uniform and stable nanosheet dispersions. These solvents promote dispersion stability through strong dipole–dipole interactions and moderate surface tension matching. Based on these findings, we developed a series of organic solvent-based inks incorporating high-k perovskite nanosheets, demonstrating excellent printing adaptability for electrical device fabrication, and achieving stable device performance. This work provides a comprehensive library of organic solvents that effectively disperse high-k perovskite nanosheets, thereby broadening their potential applications in printed electronic devices.
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DOI
高影响因子
Inorganic Chemistry Frontiers
·
2019
·Vol. 6
·期 8
·2118-2125
·
IF 5.934
Xianglong Huang,Wei Wang,Jianhua Deng,Wei Gao,Dingyu Liu,Qianru Ma,Maowen Xu
In this study, a novel hollow carbon matrix was designed and prepared using a facile NaCl crystal template for the effective encapsulation of Se. This superior carbon electrode plays a significant role in facilitating sufficient energy storage and conversion of Se-based cathode materials. A large specific surface area of 416 m2 g−1 was obtained, and the matrix provided numerous hollow spheres for the storage of Se. The thermogravimetric analysis and electrochemical results show that the as-prepared Se-hollow porous carbon composite with an ideal Se content of 42% can make excellent capacity contribution. The hollow porous structure not only effectively accommodates the volumetric expansion during the discharge–charge process but also makes the composite have a good contact with the electrolyte. In addition, the 3D open framework structure can be conducive to fast electron transportation. As a result, the Se-hollow porous carbon composite exhibited outstanding electrochemical performance when evaluated as a cathode material for rechargeable K–Se batteries.
研究领域:
材料科学
·
能源存储与转换
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DOI
高影响因子
JOURNAL OF MOLECULAR STRUCTURE
·
2023
·
IF 3.8
Jing-Yi Cao,Ze-Dong Yu,Guang Yang,Xue-Can Wang,Lu Jiang,Xi Wang,Wen-Xuan Zhao,Shu-Hai Chen,Carl Redshaw,Chuan-Zeng Wang,Takehiko Yamato
In recent years, fluorescence sensors have been widely used in explosive detection due to their portability and high efficiency. In the present work, two K-region tetrasubstituted deep-blue pyrene-based luminogens were designed and synthesized by introducing electron-donating groups. The optical properties were investigated by experimental and density functional theory (DFT) methods. Reasonable luminescence efficiency and electron rich characteristic allowed for the possible detection of nitro-explosives. Both luminogens, especially TFPy , exhibit a sensitive response towards nitroanilines ( NA ), with a limit of detection (LOD) for p -NA as low as 2.75 × 10 –8 M, which is mainly attributed to the electron-donating substituents on the periphery of the pyrene core and the extended π-conjugated structure. These research results establish a low-cost and simple strategy for the detection of trace nitroaniline.
研究领域:
化学传感器
·
材料科学
·
环境监测
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DOI
高影响因子
JOURNAL OF SOLUTION CHEMISTRY
·
2018
·Vol. 48
·期 3
·367-378
·
IF 1.401
Li Hongxia,Guo Lijiang,Li Jianqiang
The water activities of the MgCl 2 –RbCl–H 2 O ternary system and its sub-binary systems have been measured with the isopiestic method at 323.15 K. The measured water activities for the MgCl 2 –H 2 O and RbCl–H 2 O sub-binary systems agree well with the results reported in literature. The measured equal water activity lines of the MgCl 2 –RbCl–H 2 O ternary system are not straight lines, which means the mixing behavior of the solutions do not obey Zdanovskii’s rule. The solubility of the MgCl 2 –RbCl–H 2 O ternary system has been determined with the Flow-Cloud-Point method at 323.15 K, and the measured results are roughly consistent with values reported in the literature. The Pitzer model was selected to correlate the water activity and solubility data measured in this work. The predicted water activities and solubility isotherm for the MgCl 2 –RbCl–H 2 O ternary system at 323.15 K, with binary solution parameters only, both deviated from the experiment values. The ternary solution Pitzer model parameters were obtained by fitting the measured water activities in the ternary system. The water activities and solubility isotherms of the MgCl 2 –RbCl–H 2 O ternary system at 323.15 K were calculated including both binary and ternary solution parameters. The calculated water activities are consistent with the experimental values. The calculated solubility isotherms are roughly consistent with experiment values, except they deviate somewhat in the RbCl crystallization region.
研究领域:
化学
·
物理化学
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DOI
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2016
·
IF 1.835
Hongjie Xu,Zuoxiang Zeng,Weilan Xue,Kun Li
The solubility of ethyl p-aminobenzoate (EPAB) was measured in six different alcohols (methanol, ethanol, n-propanol, n-butanol, isobutyl alcohol, isoamyl alcohol) within (283.15 to 327.15) K by the last solid disappearance method. The solubility increases with increasing temperature. The decreasing order satisfies the following sequence: methanol > ethanol > n-propanol > n-butanol > isoamyl alcohol > isobutyl alcohol. Four models, including modified Apelblat equation, λh model, NRTL model, and Wilson model, were used to correlate the experimental data of EPAB. It is found that the modified Apelblat equation, NRTL model, and Wilson model were suitable to correlate the solubility of EPAB in the selected solvents with an overall RAD less than 2%. In addition, the changes of thermodynamic properties of solution [standard molar enthalpy (ΔdisHo), standard molar entropy (ΔdisSo), and standard molar Gibbs energy (ΔdisGo)] were obtained. The results indicate that the dissolution process of EPAB in these alcohols is endothermic and an entropy-driven process.
研究领域:
物理化学
·
药学
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DOI
高影响因子
CHEMICAL ENGINEERING JOURNAL
·
2021
·
IF 13.273
Chunhui Wang,Haozhe Qin,Liang Cao,Dong Wang,Jiafeng Zhang,Bao Zhang,Xing Ou
Metal selenides possess tremendous potentials due to their high specific capacity for potassium storage, however the sluggish K + diffusion and polyselenide dissolution always result in inferior electrochemical performance. Herein, metal selenide (CoSe 2 ) nanorods with engineered exposed plane incorporated in reduced graphene oxide nanosheet (sc-CoSe 2 @rGO) are fabricated. In the crystalline interior, such single-crystal structure can provide unhindered path for the fast K + transfer. Besides, at the crystalline surface, the mainly exposed (011) facet with Co 2+ rich state can induce the catalytic function with enormous reaction sites, which effectively transform the polyselenide to selenide with an enhanced selenium utilization. As expected, the as-prepared sc-CoSe 2 @rGO delivers satisfied specific capacity, prominent rate property, and superior cyclic stability (a reversible capacity of 157.7 mAh g −1 at high rate of 3.0 A g −1 after 600 cycles). This single-crystalline architecture design for intrinsic K-ion diffusion and surficial optimization is pioneeringly investigated, which provides a new insight into designing and fabricating metal-ion storage materials.
研究领域:
材料科学
·
电化学
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DOI
高影响因子
Science Advances
·
2023
·Vol. 9
·期 24
·
IF 13.6
Mingrui Wang,Peng Wang,Guanghui Zhang,Zening Cheng,Mengmeng Zhang,Yulong Liu,Rongtan Li,Jie Zhu,Jianyang Wang,Kai Bian,Yi Liu,Fanshu Ding,Thomas P. Senftle,Xiaowa Nie,Qiang Fu,Chunshan Song,Xinwen Guo
The decomposition of cobalt carbide (Co 2 C) to metallic cobalt in CO 2 hydrogenation results in a notable drop in the selectivity of valued C 2+ products, and the stabilization of Co 2 C remains a grand challenge. Here, we report an in situ synthesized K-Co 2 C catalyst, and the selectivity of C 2+ hydrocarbons in CO 2 hydrogenation achieves 67.3% at 300°C, 3.0 MPa. Experimental and theoretical results elucidate that CoO transforms to Co 2 C in the reaction, while the stabilization of Co 2 C is dependent on the reaction atmosphere and the K promoter. During the carburization, the K promoter and H 2 O jointly assist in the formation of surface C * species via the carboxylate intermediate, while the adsorption of C * on CoO is enhanced by the K promoter. The lifetime of the K-Co 2 C is further prolonged from 35 hours to over 200 hours by co-feeding H 2 O. This work provides a fundamental understanding toward the role of H 2 O in Co 2 C chemistry, as well as the potential of extending its application in other reactions.
研究领域:
催化化学
·
化学工程
·
材料科学
·
可持续能源
·
多相催化
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DOI
高影响因子
危险品化学品经营许可证（带存储）