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Carbon dioxide chemistry towards carbon-neutrality

Green Chemical engineering 2022年第2期3卷 93-95页

作者： Shoubhik Das Valerio D'Elia Liang-Nian He Arjan W.Kleij Tohru Yamada Department of Chemistry Universiteit AntwerpenAntwerp2020Belgium Department of Materials Science and Engineering School of Molecular Science and EngineeringVidyasirimedhi Institute of Science and Technology(VISTEC)555 Moo 121210PayupnaiWangChanRayongThailand State Key Laboratory and Institute of Elemento-Organic Chemistry College of ChemistryNankai UniversityTianjin300071China Institute of Catalan Research and Advanced Studies(ICREA) Pg.Lluis Companys 2308010BarcelonaSpain Institute of Chemical Research of Catalonia(ICIQ) Barcelona Institute of Science&TechnologyAv.Països Catalans 1643007TarragonaSpain Department of Chemistry Keio UniversityHiyoshiKohoku-kuYokohamaKanagawa223-8522Japan

Startling rise of carbon dioxide concentration in the atmosphere has become a serious concern to scientists and ***,reduction of CO_(2) will be ideal to save the future world but increasing number of pop-ulation and theirbelongings is the major drawback to imply *** Covid-19 pandemic reduced the CO_(2) concentration temporarily in the last two years,but still carbon dioxide concentrations are ata recordhigh.

关键词： dioxide carbon neutral

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Study of chlorine removal from shredder residue: Thermal dechlorination and water leaching

Sustainable Chemistry for the Environment

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Sustainable Chemistry for the Environment 2024年 6卷

作者： Manera, Christian Perondi, Daniele Restelatto, Danielle Godinho, Marcelo Vilela, Antônio Cezar Faria Graduate Program in Mining Metallurgical and Materials Engineering Federal University of Rio Grande do Sul (UFRGS) Rio Grande do Sul Porto Alegre Brazil Graduate Program in Process Engineering and Technologies University of Caxias do Sul (UCS) Rio Grande do Sul Caxias do Sul Brazil Graduate Program in Materials Science and Engineering University of Caxias do Sul (UCS) Rio Grande do Sul Caxias do Sul Brazil

Shredder residue (SR) is an inevitable waste in the production of steel by scrap melting, and the presence of chlorine is the main responsible for its non-use of energy. This study aimed to remove chlorine from SR by thermal dechlorination and water leaching. Thermal dechlorination was first studied from a PVC sample to evaluate the optimum parameters of temperature, heating rate, residence time and atmosphere (N₂ or steam). Under optimal conditions for PVC dechlorination, chlorine removals of 73.7 (N₂) and 68.0% (steam) were achieved. Optimal parameters were applied to thermal dechlorination of a Brazilian SR with a chlorine content of 2.12 wt%. Reductions in chlorine content to 0.95 and 0.51 wt% were observed with N₂ and steam atmospheres, respectively. In an additional evaluation (conducted also with the Brazilian SR and in order to investigate the reactor rotation effect), it was observed that the reactor rotation does not influence the release of chlorine during the thermal treatment but modifies the granulometry of the produced solid. Samples obtained from this test were subjected to a water leaching study to further reduce the chlorine content. The parameters studied were the type of water (tap and distilled), granulometry and carbonation (contact with CO₂) in a total of five washing cycles. Carbonation and use of distilled water achieved the highest chlorine removal resulting in a reduction of chlorine content from 1.13 to 0.45 wt%. The obtained results show directions for chlorine removal aiming at the energetic use of shredder residue. © 2024 The Authors

关键词： Carbonation Chlorine leaching Design of experiment Polyvinyl chloride Shredder residue

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The S Solubility of Cr and Al Containing Simulated Low-Active Waste Glass

SSRN

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SSRN 2022年

作者： Smith-Gray, Natalie Stone-Weiss, Nicholas Karcher, Sam Evarts, Jonathan Erickson, Jessica Bussey, John McCloy, John S. Material Science and Engineering Program Washington State University PullmanWA United States School of Mechanical & Materials Engineering Washington State University PullmanWA United States

Borosilicate compositions were designed to explore effects of a fixed amount of Cr, as Cr2O3 or Na2CrO4, and the impact of Al2O3, on sulfur solubility by progressively adding elemental S. The series with Al2O3 has a higher SO3 solubility of ~3.5 mol% while the series without Al2O3 has a SO3 solubility of ~2 mol%. Crystalline Cr2O3 formed only when both Al2O3 and sulfur were present. At the highest S addition, a salt phase always forms, identified as Na2(S,Cr)O4 via spectroscopy, diffraction, and thermal analysis. Magnetic resonance identified no change in the B coordination in either series as S is added, suggesting that the Na is scavenged from other locations, such as the Si sites, to charge compensate sulfate, whether in the glass or in the salt. The Cr precursor identity did not affect the observed overall behavior regarding sulfur, but did impact Cr redox as identified with Raman spectroscopy. © 2022, The Authors. All rights reserved.

关键词： Thermoanalysis

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TiCu-CMC/PDA coatings with long-term antimicrobial activity and cytocompatibility for surface engineering of implants

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Surface and Coatings Technology 2025年 509卷

作者： Zheng, Xiaosong Jiang, Yehao Zheng, Fazhan Xiang, Long Zhou, Lili Liang, Wenlang Huang, Nan Leng, Yongxiang Akhavan, Behnam Jing, Fengjuan Institute of Biomedical Engineering College of Medicine Southwest Jiaotong University Sichuan Chengdu610031 China Key Laboratory of Advanced Technologies of Materials Ministry of Education School of Materials Science and Engineering Southwest Jiaotong University Chengdu610031 China School of Engineering University of Newcastle CallaghanNSW2308 Australia Precision Medicine Program New Lambton HeightsNSW2305 Australia School of Biomedical Engineering University of Sydney SydneyNSW2006 Australia School of Physics University of Sydney SydneyNSW2006 Australia Sydney Nano Institute University of Sydney SydneyNSW2006 Australia

Long-term antibacterial effects and favourable biocompatibility are crucial to sustaining the long-term application of medical devices such as cardiac implantable devices, orthopedic devices, hernia meshes, and catheters. This study reports the development of sodium carboxymethyl cellulose/polydopamine films on Ti[sbnd]Cu coatings (TiCu-CMC/PDA) with long-term antimicrobial effects and cytocompatibility for surface engineering of implants. The TiCu-CMC/PDA coatings demonstrate sustained antimicrobial efficacy, maintaining bacterial inhibition rates above 99.6 % after aging in simulated body fluid (SBF) at 37 °C for 60 days. This remarkable antibacterial performance is primarily driven by the controlled release of copper ions during aging, complemented by surface copper's contribution to antimicrobial effects. Further, the TiCu-CMC/PDA coatings exhibit high cell viability and proliferation with negligible cytotoxicity, attributed to the regulated copper ion release. However, the endothelial cell viability on TiCu-CMC/PDA coatings decreased with aging due to the formation of copper ion complexes and CuO/Cu(OH)2, as well as increased surface roughness and hydrophilicity over time. The technology offers a simple and controllable approach to fabricating TiCu-CMC/PDA coatings, providing a pathway for the design of long-term antibacterial biomedical devices, including cardiovascular and orthopedic implants. © 2024

关键词： Antibiotics

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Lithium-ion battery functionality over broad operating conditions via local high concentration fluorinated ester electrolytes

RSC Applied Interfaces

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RSC Applied Interfaces 2024年第5期1卷 1077-1092页

作者： Quilty, Calvin D. Marin Bernardez, Edelmy J. Nicoll, Andrew Hossain, MD Jamil Kingan, Arun Arnot, David J. Mohamed, Hafsa A. Tong, Xiao Jaye, Cherno Fischer, Daniel A. Wang, Lei Qi, Yue Takeuchi, Esther S. Marschilok, Amy C. Yan, Shan Bock, David C. Takeuchi, Kenneth J. Department of Chemistry Stony Brook University Stony Brook 11794 NY United States Institute of Energy: Sustainability Environment and Equity (I:SEE) Stony Brook University Stony Brook 11794 NY United States School of Engineering Brown University Providence 02912 RI United States Department of Materials Science and Chemical Engineering Stony Brook University Stony Brook 11794 NY United States Science Undergraduate Laboratory Internship (SULI) Program Brookhaven National Laboratory Upton 11973 NY United States Department of Chemistry University of Rochester Rochester 14627 NY United States Department of Chemistry The College of Wooster Wooster 44691 OH United States Center for Functional Nanomaterials Brookhaven National Laboratory Upton 11973 NY United States Material Measurement Laboratory National Institute of Standards and Technology Gaithersburg 20899 MD United States Interdisciplinary Science Department Brookhaven National Laboratory Upton 11973 NY United States

Facilitating widespread adoption of electric vehicles will require next-generation battery systems that can operate reliably over a large temperature range, at high operating voltage, and under fast charging rates. Herein, a novel class of nonflammable fluorinated ester-based local high concentration electrolytes (LHCEs) are described. When cycled in commercially relevant graphite/LiNi_0.8Mn_0.1Co_0.1O₂ (NMC811) pouch cells, these electrolytes demonstrate improved capacity retention compared to carbonate-based electrolytes under multiple usage conditions including high voltage (4.5 V), fast charge (4C, 15 minutes), and low temperature (−20 °C) without sacrificing capacity retention at elevated temperature (40 °C). Low carbon, high fluoride cathode electrolyte interphases formed by the LHCE system yield a significant reduction in charge transfer impedance during cycling and contribute to capacity retention. These results demonstrate that using fluorinated esters in a LHCE modality enables creation of a new class of nonflammable electrolytes that can successfully operate over broad operating conditions. © 2024 RSC.

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Formation of Oxygen Vacancies in Cr³⁺-Doped Hydroxyapatite Nanofibers and Their Role in Generating Paramagnetism

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Biomedical materials and Devices 2025年第1期3卷 529-544页

作者： Carrera, Karime Huerta, Verónica Orozco, Victor Matutes, José Urbieta, Ana Fernández, Paloma Martínez, Fabián Graeve, Olivia A. Herrera, Manuel Centro de Nanociencias y Nanotecnología Universidad Nacional Autónoma de México BC Ensenada C.P. 22800 Mexico Centro de Investigación en Materiales Avanzados Chih. Chihuahua C.P. 31136 Mexico Departamento de Física de Materiales Universidad Complutense de Madrid Madrid C.P. 28040 Spain Program in Materials Science and Engineering University of California San Diego La Jolla 92093-0411 CA United States Department of Mechanical and Aerospace Engineering University of California San Diego La Jolla 92093-0411 CA United States

We demonstrate that doping hydroxyapatite (HAp) with Cr3+ ions induces oxygen vacancies, contributing to paramagnetism. Cathodoluminescence and photoluminescence analyses reveal increased oxygen vacancy formation in O... 详细信息

We demonstrate that doping hydroxyapatite (HAp) with Cr³⁺ ions induces oxygen vacancies, contributing to paramagnetism. Cathodoluminescence and photoluminescence analyses reveal increased oxygen vacancy formation in OH- and PO43- groups with rising Cr³⁺ concentrations, highlighted by stronger cathodoluminescence emissions at 2.57 and 2.95 eV and the photoluminescence emission at 3.32 eV. Raman spectroscopy shows new modes at 900 and 970 cm⁻¹, indicating distortion of the v₁ vibrational mode due to Cr³⁺ substitution at Ca(II) sites of the HAp lattice. X-ray photoelectron spectroscopy confirms Cr³⁺ in the HAp:Cr. Magnetometry reveals a shift from diamagnetism in pure HAp to increasing paramagnetism in HAp:Cr with higher Cr³⁺ content, achieving 0.0460 emu/g at 10 kOe with concentrations higher than 2.9 at.%. This paramagnetism is attributed to Cr³⁺ ions and singly ionized oxygen vacancies VO′ aligning along an external magnetic field, with VO′ formation linked to PO43- replacement by PO32- in HAp. © The Author(s) 2024.

关键词： Cathodoluminescence Cr3+ Hydroxyapatite Oxygen vacancies Paramagnetism

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MOF-catalyzed hydroxyalkylation-alkylation reaction for the controlled synthesis of furan oligomers

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Applied Catalysis A: General 2024年 669卷

作者： Atayde, Eduardo C. Matsagar, Babasaheb M. Wang, Yu-Cheng Wu, Kevin C.-W. Molecular Science and Technology Program Taiwan International Graduate Program Academia Sinica No. 128 Sec. 2 Academia Road Taipei11529 Taiwan Department of Chemistry National Tsing Hua University No. 101 Sec. 2 Kuang-Fu Road Hsinchu30013 Taiwan Department of Chemical Engineering National Taiwan University No. 1 Sec. 2 Roosevelt Road Taipei10617 Taiwan Department of Chemical Engineering and Materials Science Yuan Ze University Taoyuan Chung-Li Taiwan

Hydroxyalkylation-alkylation (HAA) reaction is a type of C-C coupling technique utilized in the production of furan oligomers, which are potential biofuel precursors. In this study, we present the first application of an acidic MOF, Sulfated MOF-808, in catalyzing the HAA reactions of a series of furan oligomers with high yield and selectivity. Specifically, we focused on the optimization of the HAA between 5-methylfurfural (5-MFUR) and 2-methylfuran (2-MF) by varying different reaction conditions, which afforded a quantitative yield reaching 97% while preventing the self-condensation of 2-MF. The catalyst was also found to be recyclable and can be reused without significant loss in its activity. Lastly, we extended the substrate scope to include benzene-based electrophiles, thereby further proving the versatility of the Sulfated MOF-808 catalyst in the HAA reactions of a variety of starting materials. © 2023 Elsevier B.V.

关键词： Catalysis

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Antibacterial evaluation of radiolytically synthesized silver nanoparticles with ι-carrageenan stabilizers

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Radiation Physics and Chemistry 2025年 236卷

作者： Gili, Mon Bryan Z. Manuel, Wendell A. Guillermo, Neil Raymund D. Shankaregowda, Rakshith Gowda H. Phan, Manh-Huong Conato, Marlon T. Vega, Marienette M. Department of Science and Technology Philippine Nuclear Research Institute Commonwealth Avenue Diliman Quezon City1101 Philippines Materials Science and Engineering Program College of Science University of the Philippines Diliman Diliman Quezon City1101 Philippines Department of Physics University of South Florida 4202 East Fowler Avenue TampaFL33620 United States Institute of Chemistry College of Science University of the Philippines Diliman Diliman Quezon City1101 Philippines

The synthesis of silver nanoparticles (AgNPs) using green, eco-friendly methods has garnered significant attention due to the potential advantages of using natural polymers, such as ι-carrageenan, as stabilizing agents. However, challenges remain in controlling the size, distribution, and stability of the nanoparticles, as well as optimizing their antimicrobial activity. In this study, gamma irradiation of ι-carrageenan solutions was investigated as a method for synthesizing AgNPs and exploring their antimicrobial properties. The primary objective was to assess how varying radiation doses and ι-carrageenan concentrations affect the formation, size distribution, and antimicrobial activity of the AgNPs. ι-Carrageenan solutions (0.1, 0.5, and 1.0 w/v %) were mixed with 0.2 M silver nitrate (AgNO3) solutions and irradiated at doses ranging from 0 to 20 kGy using Co-60. UV–vis spectroscopic analysis indicated the successful formation of AgNPs, with surface plasmon resonance (SPR) peaks appearing between 402 and 418 nm. These peaks shifted slightly towards shorter wavelengths as the irradiation rose, signaling a reduction in nanoparticle size. The optimal synthesis of AgNPs occurred at 0.5 % ι-carrageenan concentration and a dose of 15 kGy, where the SPR peak intensity and nanoparticle formation were most pronounced. XRD confirmed the presence of silver nanoparticles with face-centered cubic (FCC) structure. Particle size analysis, using dynamic light scattering (DLS), revealed that AgNPs ranged in size from 85 to 142 nm, with smaller particles forming at higher doses. At a 1 kGy dose, the nanoparticle size averaged 114 nm, but increased doses (15–20 kGy) led to a significant reduction in particle size to 85 nm. This size reduction was attributed to the fragmentation of larger particles as the irradiation dose increased. Fourier-transform infrared (FTIR) spectroscopy showed notable changes in the ι-carrageenan structure, with the formation of new functional groups, includ

关键词： Fourier transform infrared spectroscopy

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Experimental Investigation and Validation of Strength-Based Topology and Fiber Path Optimization in Continuous Fiber Reinforced Composites

SSRN

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SSRN 2024年

作者： Yap, Timothy He, Zhelong Wang, Zhichao Tamijani, Ali Tehrani, Mehran Department of Structural Engineering University of California San Diego La Jolla CA92093 United States Program in Materials Science and Engineering University of California San Diego La Jolla CA92093 United States State-Key Laboratory of Advanced Design and Manufacturing for Vehicle Body College of Mechanical and Vehicle Engineering Hunan University Changsha410082 China

Material Extrusion (ME) based Fused Filament Fabrication (FFF) excels with Continuous Carbon Fiber (CCF) reinforced filaments. This Additive Manufacturing (AM) technology allows for intricate parts to be made with topologies where fibers are aligned in directions that optimize strength and stiffness, albeit within certain manufacturing limitations. This study investigates the performance of strength-based optimization methods applied to two benchmark structural domains and loading scenarios. Two methods were used to concurrently design the topology and fiber paths: shape optimization using the level-set method, and topology optimization using both density-based Solid Orthotropic Material with Penalization (SOMP) and level-set methods. CCF filaments were printed to follow the post-processed fiber paths, and a discontinuous fiber reinforced filament was used to fill in the remaining gaps. The parts were then compression molded for full consolidation, followed by testing for their stiffness and strengths (failure loads). Finite Element Analysis (FEA) was used to simulate the stiffness and failures of the tested parts. FEA predicted stiffnesses, locations of failure, and failure loads with reasonable accuracy (less than 10% difference with experiment). A micro-computed tomography (µCT) examination of failed coupons showed that fiber flow (deviation from printed paths) during compression molding was a major source of error. In one case, a progressive damage failure model performed more accurately than a linear static simulation. Finally, comparing designs optimized for stiffness versus strength showed premature failures due to stress concentrations in stiffness-optimized designs. This study underscores the critical need for integrating proper optimization strategy with realistic AM constraints to enhance the performance and reliability of CFF reinforced AM parts. © 2024, The Authors. All rights reserved.

关键词： Finite element method

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Electronic Structures and Thermoelectric Properties of Heavily Doped N-Type Zrcobi from First Principles Calculations

SSRN

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SSRN 2022年

作者： Ibrahim, Nura Ahmed, Ridwan A. Adri, Huda Reisya, Ichwani Department of Physics Ahmadu Bello University Zaria Nigeria Materials Science and Engineering Program Department of Mechanical Engineering Worcester Polytechnic Institute WorcesterMA01609 United States

We present a theoretical investigation on the electronic structures and the thermoelectric properties of doped ZrCoBi half-Heusler compound using a combination of density functional theory calculations, semi classical Boltzmann transport theory and deformation potential theory. The effect of doping is described by a combination of rigid band approximation (RBA) and a model that explicitly includes the dopant atom within the lattice of ZrCoBi. The results demonstrate a high power factor with considerable n- and p-doping concentrations at high temperatures. Our findings further reveal that the electronic transport coefficients of ZrCo0.75M0.25Bi (M = Ni, Pd, Pt) are comparable because of their identical electronic structures. At 900 K, a high figure of merit (ZT) of ~ 0.35, ~ 0.38, and ~ 0.40 are obtained for ZrCo0.75Ni0.25Bi, ZrCo0.75Pd0.25Bi and ZrCo0.75Pt0.25Bi respectively. © 2022, The Authors. All rights reserved.

关键词： Electronic structure

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