JOURNAL OF MOLECULAR LIQUIDS
·
2019
·
IF 4.561
Yameng Wan,Haixia He,Pengshuai Zhang,Rui Zhao,Jiao Sha,Tao Li,Baozeng Ren
In this work, solubility of cis-5-norbornene-exo-2,3-dicarboxylic anhydride (himic anhydride) in binary solvents of (1,4-dioxane, DMF, NMP + ethanol) was experimentally determined by the gravimetric method ranged from 278.15 K to 323.15 K under 0.1 MPa. It was found that solubility of himic anhydride increased with elevating temperature while decreased as the mass fraction of ethanol increased. Solubility order of himic anhydride in three binary solvents was interpreted by comparing the interaction energy ( E inter ) between solute and binary solvents based on density function theory (DFT). Experimental solubility in binary solvents was correlated by the Two-Suffix Margules, NRTL, Wilson, uniquac and Jouyban-Acree-modified Apelblat (J-A-A) model. The Wilson, NRTL, uniquac and Two-Suffix Margules model are suitable to correlate the experimental solubility. Moreover, thermodynamic properties of dissolution process (Δ dis G , Δ dis S , Δ dis H , Δ mix G , Δ mix S , Δ mix H , H 1 E , ∞ , ln γ 1 and ln γ 1 ∞ ) were calculated by the Wilson equation. The dissolution process and mixing process of himic anhydride in selected binary solvents are entropy-positive.
研究领域:
化学工程
·
物理化学
·
热力学
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JOURNAL OF CHEMICAL THERMODYNAMICS
·
2023
·
IF 2.6
Zhenghui Li,Yue Shen,Chunjuan Huang
Equilibrium solubility of 2-amino-6-chloropyrazine in ten pure solvents (methanol, ethanol, n -propanol, isopropanol, N,N -Dimethylformamide (DMF), acetonitrile, acetone, propylene glycol (PG), ethylene glycol (EG) and water) and four binary blends of ethanol/ n -propanol/PG/DMF plus water was experimentally measured by isothermal saturation method at 278.15 K to 323.15 K under p = 101.2 kPa. The maximum mole fraction of 2-amino-6-chloropyrazine in mono-solvents was obtained in neat acetone (5.053 × 10 -2 ) at 323.15 K. For four binary mixed systems, the amount of 2-amino-6-chloropyrazine dissolved in DMF + water was more than other three systems. For pure solvent systems, the temperature was the only factor that affected the dissolution of 2-amino-6-chloropyrazine, while temperature and solvent composition were both the factors that affected the dissolution of 2-amino-6-chloropyrazine. The solubility data of 2-amino-6-chloropyrazine in pure solvents was correlated with apelblat model, van’t Hoff model and Buchowski–Książczak λh model. The Jouyban-Acree model, Apelblat-Jouyban-Acree model and van’t Hoff-Jouyban-Acree model were applied to calculate the solubility data of 2-amino-6-chloropyrazine in mixtures. The van’t Hoff plots of the solubility of 2-amino-6-chloropyrazine was adopted as a method to show the relationship between ln × and 1 /T- 1 /T hm , which was the basis for calculating thermodynamic properties. The preferential solvation performance in mixed systems was estimated by the values of δx 1,3 , in 0.19 < x n-propanol/PG/DMF < 1 and 0.23 < x ethanol < 1, the 2-amino-6-chloropyrazine was preferentially dissolved in organic solvents. In contrast, the 2-amino-6-chloropyrazine was dissolved preferentially in water in other intervals. What’s more, the solvent effect of 2-amino-6-chloropyrazine in mixed systems was obtained, the hydrogen bond interaction was the only factor that affects dissolution in alcohols + water and the solvent–solvent molecular interaction was dominant in DMF + water.
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FUSION SCIENCE AND TECHNOLOGY
·
2026
·
IF 1.2
Hu Wang,Chao Fang,Zhengbao Yu,Jin Liu,Jing Huang,Jing Wei,Weihua Wang,Wei Lu,Xiaowu Yu
The thermal conductivity of epoxy resin decreases sharply to approximately 0.01 W·m−1·K−1 at 4 K, significantly limiting its application in nuclear fusion engineering. To address this limitation, this study prepared epoxy composite reinforced with silver, diamond, or wollastonite at 50 vol % and 70 vol %, and systematically investigated their 4-K thermal conductivity. The results demonstrated that at 70 vol %, the silver epoxy composite achieved a thermal conductivity of 5 W·m−1·K−1, which is more than two orders of magnitude higher than that of the diamond-epoxy composite (0.05 W·m−1·K−1). At 50 vol %, the silver epoxy composite (0.12 W·m−1 ·K−1) exhibited similar thermal conductivity to the wollastonite epoxy composite (0.1 W·m−1·K−1). Increasing the silver filler from 50 to 70 vol % enhanced the thermal conductivity from 0.12 to 5 W·m−1·K−1, representing a 42-fold improvement.Through combined theoretical analysis, microstructural characterization, and finite element analysis, the following conclusions were drawn. The electron conduction–dominated fillers were the preferred choice for the cryogenic thermal conductivity epoxy composite. In the discrete composite, even the electron conduction–dominated filler could not significantly improve the cryogenic thermal conductivity of the epoxy composite; even 50 vol % silver only reached approximately 0.12 W·m−1 ·K−1. The synergistic effect between the filler type and the distribution (electron conduction–dominated filler combined with continuous filler distribution) can substantially enhance the cryogenic thermal conductivity of the epoxy composite. This work provides technical support for the design of high-performance thermal management materials for superconducting magnet cooling systems in fusion reactors.
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Materials Today Communications
·
2024
·
IF 3.7
Shengtao Liang,Junshan Hu,Ming Xu,Luxiang Xu,Hao Fu
The effect of K + ions doping on YbVO 4 : Er 3+ was studied under the excitation of a 980 nm laser. The intensity of multiple emission peaks increased was found to be enhanced at 527 nm ( 2 H 11/2 → 4 I 15/2 ), 553 nm ( 4 S 3/2 → 4 I 15/2 ), 654 nm ( 4 F 9/2 → 4 I 15/2 ), and 803 nm ( 4 I 9/2 → 4 I 15/2 ), including green, red, and near-infrared spectra. The optimal doping concentration was 0.1 K + ions in YbVO 4 : 0.02Er 3+ . The enhancement of upconversion luminescence is attributed to the presence of defect bands, which facilitate the absorption of excited photons and enable effective energy transfer from abundant electrons to Yb 3+ ( 2 F 5/2 ) and Er 3+ ( 4 I 11/2 ) ions. YbVO 4 : Er 3+ /K + was utilized in a three-mode temperature sensor, employing TCEL modes of 2 H 11/2 / 4 S 3/2 , NTCEL modes of 2 H 11/2 / 4 F 9/2 and 4 S 3/2 / 4 F 9/2 , and single luminescence intensity at I 803 . It exhibited maximum relative sensitivities of 1.36 % (298 K), 0.77 % (398 K), 0.44 % (298 K), and 1.69 % (623 K), respectively, highlighting its potential in high-precision optical temperature sensing applications.
研究领域:
材料科学
·
光学
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Joule
·
2024
·
IF 38.6
Boya Wang,Wanhai Zhou,Yanyan Zhang,Tengsheng Zhang,Xinran Li,Yutong Feng,Ruizheng Zhao,Wei Li,Ahmed Elzatahry,Yasser Hassan,Dongyuan Zhao,Dongliang Chao
Potassium-sulfur electrochemistry represents a compelling energy storage technology due to its cost-efficient chemicals and unparalleled capacity. However, achieving high sulfur redox utilization (SRU) remains a great challenge during K + storage due to K 2 S n kinetics inertia. Here, for the first time, we unveil an aqueous K + -S electrochemistry, leveraging boosted K 2 S n conversion kinetics in water. A stable two-electron charge transfer process is achieved via tuning K 2 S solubility. Spectroscopic evaluation and molecular dynamics simulations reveal a unique solid-liquid-solid conversion pathway (S ↔ K 2 S 4 ↔ K 2 S), which effectively avoids soluble K 2 S shuttling. Consequently, an unprecedented K + storage capacity of 1,619 mAh g −1 ( ca. 96% SRU) can be achieved with 95% initial Coulombic efficiency, appealing cyclability over 500 times, and a high-energy density of 392 Wh kg S+Zn −1 . These findings signify a paradigm shift and introduce transformative opportunities for the design of safe and high-energy aqueous batteries.
研究领域:
材料科学
·
电化学
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Small
·
2024
·Vol. 20
·期 44
·2404581
·
IF 13
Pengxiang Zhang,Feng Dang,Xin Zhang,Ce-Wen Nan,Bao-Wen Li
Printing technology enables the integration of chemically exfoliated perovskite nanosheets into high-performance microcapacitors. Theoretically, the capacitance value can be further enhanced by designing and constructing multilayer structures without increasing the device size. Yet, issues such as interlayer penetration in multilayer heterojunctions constructed using inkjet printing technology further limit the realization of this potential. Herein, a series of multilayer configurations, including Ag/(Ca 2 NaNb 4 O 13 /Ag) n and graphene/(Ca 2 NaNb 4 O 13 /graphene) n ( n = 1–3), are successfully inkjet-printed onto diverse rigid and flexible substrates through optimized ink formulations, inkjet printing parameters, thermal treatment conditions, and rational multilayer structural design using high- k perovskite nanosheets, graphene nanosheets and silver. The dielectric performance is optimized by fine-tuning the number of dielectric layers and modifying the electrode/dielectric interface. As a result, the graphene/(Ca 2 NaNb 4 O 13 /graphene) 3 multilayer ceramic capacitors exhibit a remarkable capacitance density of 346 ± 12 nF cm −2 and a high dielectric constant of 193 ± 18. Additionally, these devices demonstrate moderate insulation properties, flexibility, thermal stability, and chemical sensitivity. This work shed light on the potential of multilayer structural design in additive manufacturing of high-performance 2D material-based ceramic capacitors.
研究领域:
材料科学
·
电子工程
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PubMed
高影响因子
JOURNAL OF POWER SOURCES
·
2024
·
IF 8.1
Shuang Liu,Ying Wang,Zhengxin Zhu,Jingwen Xu,Zuodong Zhang,Kai Zhang,Song Jin,Zehui Xie,Taoli Jiang,Xiaoyang Wang,Zaichun Liu,Jinghao Chen,Qia Peng,Muhammad Sajid,Touqeer Ahmad,Wei Chen
Rechargeable hydrogen gas batteries are gaining significant attention as a highly reliable electrochemical energy storage technology. However, the high costs of both cathode and anode limit their widespread applications. Here, we demonstrate a low-cost H 2 /K + hybrid battery using Fe–Mn-based Prussian white - K 2 · 74 Mn[Fe(CN) 6 ] 0.90 ·0.13H 2 O (KMF) as cathode and non-noble metal high entropy alloy (NNM-HEA) as anode. It demonstrates a high capacity of 146.1 mAh g −1 at 1 A g −1 with excellent rate performance and stability. Even with a ∼7-fold increase in active loading of the KMF cathode, the capacity of the H 2 /K + battery remains as high as 100.5 mAh g −1 . Furthermore, a low-cost H 2 /K + hybrid battery using our newly developed NNM-HEA based hydrogen catalytic anode is successfully fabricated, which shows an extended capacity with a retention of 90% after 1200 cycles. This work will pave the way for designing low-cost electrode materials for high-performance, large-scale energy storage hydrogen gas batteries.
研究领域:
材料科学
·
能源存储技术
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高影响因子
CARBON
·
2021
·
IF 9.594
Na Yang,Rong Shao,Zhengping Zhang,Meiling Dou,Jin Niu,Feng Wang
Gelatin, a natural macromolecular substance formed by the hydrolysis of collagen, offers the advantages of abundant resources and low cost. It is a good precursor for the synthesis of N, O-doped carbon materials. Although some gelatin-derived carbon materials have been used for electrochemical energy storage , there have been few studies for the mechanism of gelatin carbonization . In addition, the influence of heteroatoms and defects on the K-ion storage performance remains unclear. In this work, in situ and ex situ characterization methods have been used to study the mechanism of gelatin carbonization. The pathways leading to formation of the carbon framework, heteroatom doping and defect generation in gelatin-based carbons during the pyrolysis process have been clearly identified. Moreover, by means of DFT calculations and experimental measurements, it has been confirmed that heteroatoms and defects both play important roles in improving the storage performance of potassium ions. By virtue of its abundance of both heteroatoms and defects, our optimized anode shows better electrochemical performance than graphite anodes. This study not only clarifies our understanding of carbonization mechanism and mechanism of K-ion storage in carbon materials, but also provides pathways for the synthesis and applications of new carbon-based anode materials for alkali-ion batteries.
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CHEMISTRY OF MATERIALS
·
2024
·
IF 7.2
Huan Pei,Luyong Zhang,Huanhuan Cheng,Shibin Wang,Zhihua Yang,Fangfang Zhang,Shilie Pan
Four hydroxyfluorooxoborates, α-K2[B3O3F4(OH)] (I), β-K2[B3O3F4(OH)] (II), Cs(NH4)3[B3O3F4(OH)]2 (III), and RbCs5[B3O3F4(OH)]3 (IV), with identical fundamental building block (FBB) [B3O3F4(OH)]2–, were obtained successfully and characterized comprehensively. A phase transition between I and II was detected, which led to a space group evolution from centrosymmetric to noncentrosymmetric. The F– and OH– substitution effect was studied based on II and its hydroxyborate derivative K2[B3O3(OH)5], which reveals the corresponding changes in the band gap and the nonlinear optical properties. In addition, the cationic-size effect on the arrangement of the [B3O3F4(OH)]2– FBBs and the birefringent properties were discussed for the title compounds. This study contributes to the advancement of structural chemistry and sheds some light on the structure–property relationship studies of hydroxyfluorooxoborates.
研究领域:
材料化学
·
晶体学
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MATERIALS LETTERS
·
2025
·
IF 2.7
Ying Chen,Chang Liu,Mengxue Hu,Qingfang Li,Jing Su
In this work, KCuCl₃ and K₂CuCl₄·2H₂O crystals were synthesized via a solution evaporation method. Their crystal structures were verified by XRD, while the (110) interplanar spacing of K₂CuCl₄·2H₂O was further identified by HRTEM and the corresponding SAED. Thermal behavior was examined using TG/DSC. Both compounds exhibit reversible discoloration in response to temperature (20–100 °C) and humidity (0–80 % RH). UV–Vis absorption reveals band gaps of 3.05 eV for KCuCl₃ and 3.09 eV for K₂CuCl₄·2H₂O. PL spectra show blue-green emission, with CIE coordinates indicating a warmer hue for K₂CuCl₄·2H₂O, primarily attributed to the Cu 2+ centers. The strong light absorption and efficient PL response of these halides highlight their potential for humidity sensing and luminescent device applications.
研究领域:
材料科学
·
无机化学
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光学材料
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晶体学
·
传感器技术
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JOURNAL OF THE AMERICAN CERAMIC SOCIETY
·
2025
·Vol. 109
·期 1
·e70351
·
IF 3.8
Lulu Jiang,Wenqi Lei,Zhiming Zhao,Kejia Chen,Chuangchang Lei,Donglin Han
Ba 3 MoNbO 8.5 is a recently emerging hexagonal perovskite-derivative oxide with high oxide ion conductivity. Mo and Nb-sites were commonly doped with acceptor dopants to regulate the transport properties. In this work, Ba-site was introduced with cation deficiency and doped with K. The tolerance of Ba-deficiency ( x ) in Ba 3‒ x MoNbO 8.5‒ x is within 0.03–0.06, and the solubility of K ( x ) in Ba 3‒ x K x MoNbO 8.5‒ x /2 is higher than 0.3. Although forming Ba-deficiency of x = 0.03 does not influence the conductivity significantly, doping K to x = 0.15 and 0.3 decreases the bulk conductivity obviously. Furthermore, even though these samples can be hydrated, H 2 O/D 2 O isotope effect was not observed, indicating that there is no or negligibly small proton conduction, and hydration even decreases the bulk conductivity. Interestingly, doping K reduces the difference in conductivity between the measurements in the dry and wet atmospheres. By annealing in a wet atmosphere for 90 h, the Ba 2.7 K 0.3 MoNbO 8.35 composition is unstable at 400°C, but shows good chemical stability at 600°C.
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NEW JOURNAL OF CHEMISTRY
·
2022
·Vol. 46
·期 7
·3409-3416
·
IF 3.925
Hao Liu,Yaowei Wang,Fengqi Zhang,Congcong Xu,Xiaoyuan Liao,Yan Jiang,Shuxiang Lu
A series of K-based oxide catalysts supported on aluminium oxide (γ-Al2O3) with different surface areas were synthesized using an impregnation method and investigated by the decomposition of sulfones from oxidized diesel fuels. The synthesized catalysts were characterized by N2 adsorption–desorption isotherms, CO2-TPD and HR-SEM methods to explore the relationship between the structure of the catalysts and sulfone conversion. The results showed that the K element was highly dispersed on the surface of γ-Al2O3. The prepared catalyst was further applied in the decomposition reaction of dibenzothiophene sulfone (DBTS) to evaluate the catalytic performance. The sulfone conversion could achieve 63.9% in 10% K2O/3-Al2O3 within 20-minute reaction time at 260 °C. Moreover, our experimental test showed that the sulfone conversion was linearly correlated with the logarithm of the total basic sites of the K2O/γ-Al2O3 catalyst.
研究领域:
化学工程
·
催化科学
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DOI
高影响因子
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