TRIBOLOGY INTERNATIONAL
·
2026
·
IF 7.6
Jiajia Cen,Shuangqi Li,Kai Chen,Dekun Zhang
Polyetheretherketone (PEEK) possesses excellent corrosion resistance, moderate friction properties, and high‑temperature stability. However, under severe operating conditions, its coefficient of friction (COF) and wear rate increase significantly, limiting broader application. In this work, P‑MoS₂ was synthesized in situ on a PEEK matrix using a hydrothermal method, while K‑BN‑OH was prepared via surface grafting with a coupling agent. Both fillers were then blended with a PEEK/PTFE matrix to produce a novel PEEK/PTFE/P‑MoS₂/K‑BN‑OH composite. Orthogonal experiments identified the optimal composition of PEEK/PTFE/P‑MoS₂, which exhibited the best overall performance. The effect of K‑BN‑OH content on the mechanical, thermal, and tribological properties of the composites was systematically studied. Tribological behavior under varying conditions was analyzed to elucidate wear mechanisms and filler synergy. Results show that the composite with 25% PTFE and 5% P‑MoS₂ achieved the most balanced performance: elastic modulus (1414.62 MPa), compressive strength (127.81 MPa), COF (0.108), and wear rate (1.81 ×10⁻⁶ mm³/N·h) decreased by 22.58%, 35.82%, 73.13%, and 59.78%, respectively, compared to pure PEEK, while creep strain (2.77%) increased by 95.62%. Further addition of 3% K‑BN‑OH enhanced mechanical and thermal properties: elastic modulus rose to 1520.13 MPa, compressive strength to 131.33 MPa, creep strain fell to 1.82%, and thermal conductivity reached 0.294 W/m·K. The average coefficient of friction(ACOF) declined to 0.094, though wear rate rose slightly to 2.26 × 10⁻⁶ mm³/N·h. Tribological tests revealed that wear rate increased with rotational speed, while ACOF showed a non‑monotonic trend, first decreasing and then increasing. With increasing load, both ACOF and wear rate initially decreased before rising, reaching minima at 20 N (0.077 and 2.09 ×10⁻⁶ mm³/N·h, respectively). Molecular dynamics simulations elucidated that PTFE formed a lubricating film through interfacial enrichment, while MoS₂ enhanced matrix ordering and promoted interfacial slip via π-π stacking and C-S bonding. In contrast, h-BN disrupted the synergistic lubrication network established between PTFE and MoS₂ due to its spatial blocking effect. This work systematically elucidates the synergistic mechanisms of fillers from the microscopic level to macroscopic performance, providing a theoretical basis for the design of high‑performance PEEK composites tailored to specific operating conditions.
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JOURNAL OF SOLUTION CHEMISTRY
·
2025
·
IF 1.3
Wang Chengfei,Zheng Guangbing,Jiang Shouxiang,Sun Xiangyu,Huang Xin,Xie Wenjun,Li Haoran,Jiang Xia,Wang Guan,Zheng Gengxiu
The solubility of 3,4,5-Trimethoxyphenylacetonitrile (TMB) was measured by employing a static gravimetric method in twelve pure solvents (methanol, ethanol, n -propanol, iso -propanol, n -butanol, 2-butanol, n -hexane, cyclohexane, n -heptane, ethyl acetate, iso -propyl acetate, N,N’ -dimethyl formamide (DMF)) with the temperature ranging from 283.15 to 323.15 K under the atmospheric pressure. The experimental results demonstrated that the mole fraction solubility of TMB increased with the increasing temperature in all systems, and the solubility of TMB is the highest in DMF and lowest in n-heptane. The experimental solubility of TMB was fitted using the modified Apelblat, Wilson, Yaws, and λh models. And the experimental data were agreed well with these models. Furthermore, the results show that the best fitting model was the modified Apelblat model with an average relative deviation of less than 1%. The intermolecular forces between solute and solvent were evaluated by the cohesive energy density obtained by molecular dynamics simulation, and the solubility and compatibility of solute and solvent were predicted. The analysis of Hansen solubility parameters was performed to investigate the similarities between solvents and TMB, thereby improving our understanding of their dissolution behaviors. The thermodynamic properties of the dissolution process are also calculated using the Wilson model. The results show that the dissolution of TMB is an endothermic process driven by enthalpy.
研究领域:
化学工程
·
物理化学
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Small
·
2025
·
IF 12.1
Zhengyang Li,Yuting Chen,Zhiyuan Guo,Tong Wang,Qi Fan,Yuhang Zhuang,Chenying Li,Mei Yang,Teng Xu,Yanchen Liu,Zhiyuan Li,Qin Sun,Xiaohui Zhu,Hui Xia
Manganese-based oxide cathodes for sodium-ion batteries face irreversible degradation from Mn 3+ Jahn–Teller distortion and Mn 2+ dissolution, compounded by cyclic strain during (de)sodiation. To address this, a P2-K 0.7 Mn 0.8 Ni 0.1 Ti 0.1 O 2 (KMNT) cathode via dual-regulation is developed: K + pillars expand alkali - metal layers enabling fast Na⁺ diffusion, while Ni/Ti co-doping compresses transition-metal layers to suppress Mn migration and Jahn–Teller effect. Besides, the K + pillars in discharged KMNT enhance Mn─O interactions via electrostatic effects, elevating Mn redox potentials and enabling a high average discharge voltage of ≈2.6 V (vs. Na + /Na). Even at a low potential cut-off of 1.5 V, the KMNT cathode demonstrates a reversible specific capacity of 124 mAh g −1 at 1 C with 98% capacity retention after 200 cycles and retains 83% after 900 cycles at a large current density of 10 C, significantly outperforming conventional Mn-based cathodes. Electrochemical and operando tests confirm the dynamic K + /Na + exchange mechanism and absence of Mn 2+ formation, establishing a new paradigm for stable Mn-rich cathodes.
研究领域:
材料科学
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电化学
·
储能
·
电池技术
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DOI
PubMed
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2025
·
IF 2.1
Linlin Sun,Guodong Su,Zhenghui Li,Renjie Xu
The equilibrium mole fraction solubility of tanshinone I in acetone, N,N-dimethylformamide (DMF), methanol, ethanol, water, ethylene glycol (EG), n-propanol, isopropanol, and 1-butanol as well as methanol/ethanol/DMF/acetone + water was determined by the isothermal saturation method at 278.15–323.15 K under 101.2 kPa. The temperature and the composition of solvent mixtures play a decisive role in the solubility of tanshinone I. Then, four monosolvent models (Apelblat, van’t Hoff, λh, and NRTL) and three cosolvency models (Jouyban–Acree (J-A), van’t Hoff–Jouyban–Acree (V-J-A), and modified Apelblat–Jouyban–Acree (A-J-A)) were utilized to correlate the mole fraction of tanshinone I. The maximum deviation (relative average deviation (RAD) and root-mean-square deviation (RMSD)) between the experimental data and the solubility data calculated by the monosolvent models are 6.21% and 3.02 × 10–4, respectively. The maximum of RAD and RMSD for the mixture systems are 1.58% and 1.35 × 10–4, respectively. The Kamlet and Taft linear solvation energy relationship model was used to analyze the solvent effect, and the nonspecific dipolarity/polarizability interactions between the solute and solvent played a major promoting role. All in all, the experimental and computational data are able to provide basic data for the optimization and improvement of the recrystallization process of tanshinone I.
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高影响因子
ELECTROCHIMICA ACTA
·
2025
·
IF 5.6
Xin Xu,Fengxing Jiang,Xiaofang Liu,Cheng Liu,Congcong Liu,Qinglin Jiang,Haixin Ding,Jingkun Xu,Peipei Liu
The development of freestanding electrodes with high energy density remains a key challenge for potassium-ion supercapacitors. Herein, a supramolecular strategy is presented through the in situ electropolymerization of dibenzo-18-crown-6 (DB18C6) on single-walled carbon nanotubes (SWCNTs) films, fabricating the flexible poly(DB18C6) (PDB18C6)/SWCNTs hybrid electrodes. This design leverages dual charge-storage mechanisms: a conductive SWCNTs network for rapid electron transport and embedded PDB18C6 macrocycles for reversible K + coordination via host-guest interactions, which significantly enhances pseudocapacitance and cycling stability of the prepared film. By optimizing the electropolymerization time, the freestanding electrode achieves a high energy density of 77 Wh kg -1 at a power density of 1595 W kg -1 within an expansive operating window of -1.5 to 1.5 V. Notably, a high capacitance retention of 99.25% is maintained after 15,000 cycles at 10 A g -1 , attributable to the robust K + -crown ether coordination effect. Furthermore, a symmetrical supercapacitor assembled with PDB18C6/SWCNTs electrodes delivers an energy density of 18.75 Wh kg -1 at 1350 W kg -1 . This work underscores the promise of supramolecular coordination chemistry for designing high-performance energy storage devices.
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JOURNAL OF POLYMER RESEARCH
·
2025
·Vol. 32
·期 6
·1-11
·
IF 2.8
Han Yu,Wei Chaoquan,Wang Ting,Zeng En
The inevitable damage to paint films during coating applications significantly reduces their protective performance, leaving the underlying substrate vulnerable. Developing self-healing coatings is therefore of critical importance. This study presents the synthesis of polyvinyl alcohol (PVA)/polyurea hybrid microcapsules (MCs) loaded with isophorone diisocyanate via interfacial polymerization in an oil-in-water emulsion, with PVA serving as the emulsifier. These microcapsules were incorporated into acrylic resin, along with a dispersant, co-solvent, and isocyanate curing agent, to formulate a microencapsulated self-healing two-component waterborne polyurethane (2 K WPU) coating. The microcapsules were characterized using TG, FTIR, and SEM. The influence of PVA's polymerization degree and alcoholysis degree on microcapsule properties was systematically analyzed. Results indicate that PVA 1799 as an emulsifier yields microcapsules with minimal surface folds and smooth morphology. When 9 wt% of MC 1799 was added to the 2 K WPU coating, the resulting formulation exhibited optimal performance, achieving an average particle size of 29 μm, along with superior self-healing and anti-corrosion properties. This research offers a novel approach for developing high-performance self-healing coatings with potential industrial applications.
研究领域:
材料科学
·
化学工程
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DOI
高影响因子
CERAMICS INTERNATIONAL
·
2025
·
IF 5.6
Zhilun Zhang,Wei Xie,Xuanru Ren,Bingqing Zhao,Ziqi Zhao,Qian Wang,Mingliang Li,Hailong Wang
To enhance oxidation resistance of carbon/carbon (C/C) composite materials at 1973 K in static air, a novel bilayer Yb 2 O 3 -HfB 2 -SiC/SiC (denoted YHSS) coatings were engineered via a two-step process combining pack cementation and slurry method. A substantial loading of ceramic phases (∼60 wt %) was incorporated into the SiC ceramic layer to improve thermal stability of the oxide scale at 1973 K. Following pre-oxidation, the YHSS coatings impart effective oxidation protection to C/C composite materials for over 228 h at 1973 K. Coupled experimental and theoretical analyses confirm that Yb and Hf atoms diffuse into the thermally grown SiO 2 layer, thereby reinforcing the SiO 2 network structure. Furthermore, the coating's exceptional performance is attributed to its dense, flaw-free surface morphology and the homogeneous dispersion of high-content ceramic phases throughout the SiC layer, collectively suppressing oxygen permeation.
研究领域:
材料科学
·
陶瓷涂层
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高温材料
·
复合材料
·
表面工程
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DOI
高影响因子
Journal of Cleaner Production
·
2025
·
IF 10
Jian Gao,Yu Zhou,Bingran Wang,Wenxuan Luo,Peng Wu,Kai Shen,Yaping Zhang
Catalytic hydrolysis technology is a promising solution for carbonyl sulfide (COS) treatment, but it is still difficult to scale up due to the poor selectivity of H 2 S and low stability of the catalyst. Developing an efficient catalyst, therefore, remains a significant challenge. Although perovskite-based catalysts are widely utilized in various applications, they are less commonly applied to carbonyl sulfide hydrolysis. Moreover, the effects of doping modification and the hydrolysis reaction mechanism remain to be fully elucidated. Through extensive testing and evaluation of various lanthanide perovskite materials, LaAlO 3 has demonstrated excellent catalytic hydrolysis performance. At 100 °C, LaAlO 3 exhibits a COS removal efficiency of 37 % and an H 2 S selectivity of 52 %. After modification via potassium doping at the A-site, the catalyst achieves near-complete conversion of COS to H 2 S and maintains stable operation for extended periods under high space velocity. The adsorption energies of various adsorption sites were calculated using DFT, confirming the optimal adsorption sites for reactants COS and H 2 O. Water undergoes dissociative adsorption on the catalyst to form -OH groups, which then adsorb COS through the Eley-Rideal (E-R) mechanism, leading to the formation of the hydrolysis intermediate HSCO 2 − . Reactive oxygen species, on the other hand, facilitate the dissociative adsorption of H 2 O, leading to the formation of more surface hydroxyl groups. Meanwhile, calculations indicate that K doping significantly enhances the adsorption energy of the reactants. The structure and properties of the catalysts have been characterized using a variety of techniques. The results have shown that K doping increases the content of weak basic sites and O 2 − in LaAlO 3 . Consequently, the catalytic activity of La 0.8 K 0.2 AlO 3 prepared by the sol-gel method is enhanced, showing higher selectivity and stability. This work provides new solutions and insights for the application of perovskites in the field of environmental catalysis. Owing to its simple preparation method, low cost, and high efficiency, the modified LaAlO 3 catalyst exhibits excellent environmental and economic benefits.
研究领域:
环境催化
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材料科学
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化学工程
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高影响因子
JOURNAL OF THE ENERGY INSTITUTE
·
2025
·
IF 6.2
Wang Lu,Mingwei Xia,Ziyue Tang,Yingquan Chen,Xianhua Wang,Haiping Yang,Hanping Chen
Poly-generation of porous char and H 2 -rich syngas is a key technology for the full and high-value use of carbon and hydrogen elements in biomass. In this study, the synergistic evolution and regulation mechanisms of H 2 and porous carbon during K-assisted bamboo gasification were investigated using fixed-bed pyrolysis-gasification system. The results show that, due to steam activation, both the H 2 production rate and the physicochemical properties of char initially increase and then decline with prolonged gasification time, reaching their peak in the middle stage of the process. The hydrogen conversion rate further indicates that partial gasification achieves higher production efficiency, which is favorable for the poly-generation. K accelerates the evolution of both char and H 2 , enhancing their quality and ultimately enabling the poly-generation of 31.5 mmol/g H 2 and porous carbon with a S BET of 1917 m 2 /g. Moreover, K promotes oxygen enrichment in char, particularly the incorporation of O=C-OR and C=O groups on the char surface, thereby improving the functional applicability of the carbon.
研究领域:
能源化学
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生物质转化
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催化化学
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环境功能材料
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热化学转化
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高影响因子
CERAMICS INTERNATIONAL
·
2025
·
IF 5.6
Dongsheng Jiang,Yuzhe Li,Chao Zhang,Ruifang Wang,Jinpeng Zhu,Wen Chen,Yusi Che,Jilin He
Bayan Obo tailings are rich in niobium and other valuable elements; however, the phase evolution of niobium-bearing slag within these tailings remains poorly understood. This knowledge gap significantly impedes comprehensive utilization of these strategic resources. In this study, a CaO-SiO 2 -Nb 2 O 5 -5%Na 2 O-5%Al 2 O 3 -3%CaF 2 slag system was investigated to examine the phase equilibrium types, compositional characteristics, and distributional evolution under varying w (CaO)/ w (SiO 2 ) ratios and w (Nb 2 O 5 ) contents, using high-temperature equilibrium experiments. Following a 24-hour high-temperature equilibrium treatment at 1473 K under an argon atmosphere, a range of compounds including 13CaO·8SiO 2 ·Nb 2 O 5 ·CaF 2 , 2CaO·4SiO 2 ·Na 2 O·Al 2 O 3 , CaO·Nb 2 O 5 ·NaF, 2CaO·Nb 2 O 5 , and CaO·SiO 2 were identified. An increase in Nb 2 O 5 content coupled with a reduction in the w (CaO)/ w (SiO 2 ) ratio favored the formation of CaO·Nb 2 O 5 ·NaF (pyrochlore phase) and 2CaO·Nb 2 O 5 . These two phases exhibited high Nb concentrations, with the CaO·Nb 2 O 5 ·NaF (pyrochlore) phase containing up to approximately 70% Nb. The optimal smelting conditions for niobium enrichment in the pyrochlore phase were identified within the range of w (CaO)/ w (SiO 2 ) = 0.74∼0.80 and w (Nb 2 O 5 ) = 13.61%∼16.11%.
研究领域:
冶金学
·
材料科学
·
矿物加工
·
物理化学
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DOI
高影响因子
APPLIED CATALYSIS B-ENVIRONMENTAL
·
2022
·
IF 24.319
Xi-xi Sun,Ruichen Li,Zhiwei Yang,Nan Zhang,Chao Wu,Junhua Li,Yulin Chen,Qiang Chen,Jing Zhang,Hongjian Yan,Xiang Lv,Jiagang Wu
The strategy of modulating polarization rotation of potassium sodium-niobate ((K 0.5 Na 0.5 )NbO 3 , KNN) lead-free piezoelectric materials was reported to boost piezoelectric properties and resultant piezocatalytic activities. The effectiveness of modulating polarization rotation was proved by degrading Rhodamine B (RhB) using three KNN-based samples with different phase structures (i.e., orthorhombic (O) phase, orthorhombic-tetragonal (O-T) coexistence phase, and rhombohedral-orthorhombic-tetragonal (R-O-T) coexistence phase). Poled samples with the R-O-T coexistence phase show a reaction rate constant of 0.091 min −1 owing to the easiest polarization rotation, 2.12 times more than that of poled O-phase featured samples with the most difficult polarization rotation. Enhanced piezocatalytic activities primarily originate from the easier polarization rotation and improved carrier concentration, accompanied by the trace of the mechano-charge generation. Therefore, modulating polarization rotation effectively boosts piezocatalysis of KNN-based materials, promising for harnessing natural energy and disease treatment.
研究领域:
材料科学
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环境科学
·
化学工程
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高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2025
·
IF 2.1
He Ma,Houchun Yan,Menghao Du,Yingmin Yu,Qingsong Li
To separate methyl 2-hydroxyisobutyrate from an aqueous solution, alkyl alcohols were selected as extractants. The liquid–liquid equilibrium data for the system {water + methyl 2-hydroxyisobutyrate + extractants (1-hexanol, 1-heptanol, 1-octanol, and 1-nonanol)} were determined at a temperature of 303.2 K. The partition coefficients and separation factors were calculated to assess the effectiveness of the extraction process. Additionally, the data were correlated using the NRTL and UNIQUAC models, with parameter regression conducted accordingly. The GMcal_TieLinesLL tool was utilized to evaluate the regression model parameters, and the results conformed to the Gibbs stability criterion. The present study further investigates the separation mechanism through analyses of σ-profile, deformation charge density, interaction energies, and Reduced Density Gradient (RDG) analysis. Ultimately, it was concluded that 1-nonanol exhibited the most effective extraction performance.
研究领域:
化学工程
·
分离过程
·
物理化学
·
热力学
·
萃取
·
分子建模
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高影响因子
危险品化学品经营许可证（带存储）