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The thermodynamic and kinetic simulations based on the re-assessment of the thermodynamic and kinetic database of the Ni-Ti-Cu system were employed to predict the phenomena of mechanical alloying, spark plasma sintering and thermal properties of the intriguing Ni-Ti-Cu system. Thermodynamic calculations are presented for the stable and unstable phases of NiTiCu materials and support a correlation with the evolving microstructure during the technological process. Also, the thermal conductivity, the thermal diffusivity and the specific heat of spark plasma sintered and aged Cu-alloyed NiTi-based shape memory alloys (NiTiCu) with two compositions, NiTiCu and NiTiCu, are evaluated and the influence of mechanical alloying and precipitates on thermal properties is discussed. Measurements of these thermal properties were carried out from 25 °C up to 175 °C using the laser flash method, as well as differential scanning calorimetry. The thermal hysteresis of the 20 mm diameter samples was between 8.8 and 24.5 °C. The observed temperatures from DSC experimental transformation features are in reasonable accordance with the thermodynamic predictions. The determined values are between 20.04 and 26.87 W/m K and in agreement with the literature results. Moreover, this paper can provide some suggestions for the preparation of NiTiCu shape memory alloys and their applications.
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http://dx.doi.org/10.3390/nano14050461 | DOI Listing |
Environ Sci Pollut Res Int
September 2025
School of Chemical Engineering, State University of Campinas-Universidade Estadual de Campinas, Albert Einstein Av., 500, Campinas, SP, 13083-852, Brazil.
Bisphenol A (BPA) is a persistent organic pollutant with toxic effects on human health and ecosystems. In this study, the performance of MWCNT-OH functionalized with iron nanoparticles (MWCNT-OH@Fe) using sugarcane bagasse extract as a reducing agent (green synthesis) was evaluated for BPA adsorption. The kinetics are fast, between 10 and 20 min in the range of concentrations evaluated and the resistance to external film diffusion (external film mass transfer) identified as the rate-limiting step of the process.
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September 2025
Saveetha School of Engineering, Saveetha Institute of Medical and Technical Sciences, Saveetha University Chennai Tamil Nadu 602105 India.
A free radical polymerization approach was applied to synthesize different carboxymethyl cellulose-grafted poly(acrylamide) hydrogels (Hyd) composited with biochar, magnetic biochar, and magnetic biochar decorated with ZIF-67 to decontaminate methylene blue (MB) from water media. Biochar was obtained from walnut shells (WS) by a pyrolysis method, and magnetic biochar (WS/CoFeO) and biochar-decorated ZIF-67 (WS/CoFeO/ZIF-67) were prepared by chemical co-precipitation and hydrothermal methods, respectively. An increase in the amount of these particles by up to 10 wt% enhanced the removal performance.
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September 2025
Otto-von-Guericke-University Magdeburg, Chemical Institute, Chair for Industrial Chemistry Universitätsplatz 2 39106 Magdeburg Germany
This work elucidates the thermo-kinetics of the thermal conversion of cameroonian kaolin to metakaolin as the main product. The thermokinetical parameters (activation energy and pre-exponential factor ) for the kaolin conversion were calculated using model-free methods, the Kissinger-Akahira-Sunrose (KAS) and the Flynn-Wall-Ozawa (FWO) method, and differential methods (Kissinger and Ozawa) additionally including iterative procedures for KAS and FWO methods (KAS-Ir; FWO-Ir). The cameroonian kaolin was heat-treated using three different heating rates, 5, 20 and 40 K min, leading to metakaolin samples named MK-(5), MK-(20) and MK-(40).
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September 2025
Process and Environmental Engineering Laboratory (LIPE), Faculty of Chemistry, University of Science and Technology of Oran Mohamed Boudiaf P. O. Box 1503, El Mnaouer 31000 Oran Algeria.
In this contribution, Molecular Electron Density Theory (MEDT) is employed to investigate the (3 + 2) cycloaddition reaction between ()--methyl--(2-furyl)-nitrone 1 and but-2-ynedioic acid 2. DFT calculations at the M06-2X-D3/6-311+G(d,p) level of theory under solvent-free conditions at room temperature show that this reaction proceeds CA3-Z diastereoselectivity, with the formation of the CA3-Z cycloadduct being both thermodynamically and kinetically more favoured than the CA4-Z one. Reactivity parameters obtained from CDFT calculations reveal that compound 1 predominantly behaves as a nucleophile with moderate electrophilic features, in contrast to compound 2, which demonstrates strong electrophilicity and limited nucleophilic ability.
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September 2025
College of Chemistry and Materials Engineering, Wenzhou University Wenzhou Zhejiang 325035 P. R. China
Sodium-ion batteries (SIBs) are promising alternatives to lithium-ion batteries (LIBs) owing to abundant resources and cost-effectiveness. However, cathode materials face persistent challenges in structural stability, ion kinetics, and cycle life. This review highlights the transformative potential of high-entropy (HE) strategies that leveraging multi-principal element synergies to address these limitations entropy-driven mechanisms.
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