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Results in engineering 2025年 27卷

作者： Hao Qiu Haojie Li Michael Fischlschweiger Marko Ranneberg Torsten Graupner Sima Hellmers Arno Kwade Bengi Yagmurlu Department of Resource Processing Technologies Institute of Geotechnology and Mineral Resources Clausthal University of Technology 38678 Clausthal-Zellerfeld Germany Chair of Technical Thermodynamics and Energy Efficient Material Treatment Institute of Energy Process Engineering and Fuel Technology (IEVB) Clausthal University of Technology 38678 Clausthal-Zellerfeld Germany Federal Institute for Geosciences and Natural Resources (BGR) Stilleweg 2 30655 Hannover Germany Institute for Particle Technology (iPAT) Technische Universität Braunschweig Volkmaroder Str. 5 38104 Braunschweig Germany

With the application of pyrometallurgical technology in the recycling of spent lithium-ion batteries, eucryptite has been found as an artificial mineral in various lithium-bearing slags. Unlike spodumene, eucryptite has a higher lithium content and does not require high temperature roasting prior to leaching. Therefore, the study of the floatability and leaching behavior of eucryptite and eucryptite-containing slags is crucial for optimizing the pyrometallurgical recycling route of spent lithium-ion batteries. In this study, fundamental research is carried out on micro-flotation, surface property analysis and leaching behaviour of the natural eucryptite minerals. In micro-flotation tests, eucryptite showed a significant difference in floatability when using sodium oleate and dodecylamine. The disparity in yield between different minerals when employing the same collector serves as the foundation for selective flotation separation. A greater disparity indicates a higher expected efficiency in separation. In the dodecylamine system, eucryptite showed a higher yield compared to the gangue mineral gehlenite, with a maximum yield difference of approximately 35 %. In addition, flotation tests on eucryptite-containing slag demonstrate the potential for separating eucryptite, γ-lithium aluminate and the gangue mineral gehlenite from slag by multi-stage flotation. In the leaching test, the leaching efficiency of lithium in the natural eucryptite mineral approaches 97 % and in the slag approaches 100 %.

关键词： Eucryptite Slag flotation Slag leaching Battery recycling Slag valorization Lithium recovery

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Reduction behaviors of main group and transition metals doped NiO catalysts

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AIP Conference Proceedings 2024年第1期2925卷

作者： Salma Samidin Siti Sarahah Sulhadi Azizul Hakim Lahuri Norliza Dzakaria Wan Nor Roslam Wan Isahak Suzeren Md Jamil Mohd Ambar Yarmo Muhammad Rahimi Yusop Department of Chemical Sciences Faculty of Science and Technology Universiti Kebangsaan Malaysia 43600 UKM Bangi Selangor Malaysia Department of Science and Technology Universiti Putra Malaysia Bintulu Campus 97008 Bintulu Sarawak Malaysia Advanced Material for Environmental Remediation (AMER) Research Group Faculty of Applied Science Universiti Teknologi Mara (UiTM) Cawangan Negeri Sembilan Kampus Kuala Pilah 72000 Kuala Pilah Negeri Sembilan Malaysia Department of Chemical and Process Engineering Faculty of Engineering and Built Environment Universiti Kebangsaan Malaysia 43600 UKM Bangi Selangor Malaysia

The performance of nickel oxide catalysts was investigated using temperature programmed reduction (TPR) with promoter doping consisting of main group and transition metals in a mixture atmosphere of carbon monoxide (CO) and nitrogen (N2) (40:60 percent, vol/vol). The catalysts were prepared by wet-impregnation with a metal loading of 5 wt.% and characterized using X-ray diffraction (XRD) and N2−adsorption-desorption. TPR results revealed that metal doped Co improved NiO reduction (NiO →Ni0) without intermediate phase during half of the reaction at 500 °C for 60 minutes. The promoter’s physicochemical and textural properties influence metal-promoter interaction, crystallite size, and metal dispersion. Among these promoters, Co as a dopant has demonstrated superior performance in nickel oxide reduction behaviors, which was attributed to these elements’ ability to prevent carbon accumulation on the active Ni components.

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Highly bonded T-Nb2O5/rGO nanohybrids for 4 V quasisolid state asymmetric supercapacitors with improved electrochemical performance

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Nano Research 2018年第9期11卷 4673-4685页

作者： Yuzhi Jiao Haitao Zhang Hailang Zhang Ao Liu Yanxia Liu Suojiang Zhang Beijing Key Laboratory of Ionic Liquids Clean Process Institute of Process Engineering Chinese Academy of Sciences Beijing I O0190 China School of Chemical and Material Engineering Jiangnan University Wuxi 214122 China Department of Chemical and Material Engineering Hefei University Hefei 230601 China Zhengzhou Key Laboratory of Energy Storage Science and Technology Zhengzhou Institute of Emerging Industrial Technology Zhengzhou 450000 China

Orthorhombic niobium pentoxide （T-Nb2O5）/reduced graphene oxide nanohybrids were fabricated via the hydrothermal attachment of Nb2Os nanowires to dispersed graphene oxide nanosheets followed by a high-temperature phase transformation. Electrochemical measurements showed that the nanohybrid anodes possessed enhanced reversible capacity and superior cycling stability compared to those of a pristine T-Nb205 nanowire electrode. Owing to the strong bonds between graphene nanosheets and T-Nb2O5 nanowires, the nanohybrids achieved an initial capacity of 227 mAh·g^-1. Additionally, non-aqueous asymmetric supercapacitors （ASCs） were fabricated with the synthesized nanohybrids as the anode and activated carbon as the cathode. The 3 V Li-ion ASC with a LiPF6-based organic electrolyte achieved an energy density of 45.1 Wh·kg^-1 at 715.2 W·kg^-1. The working potential could be further enhanced to 4 V when a polymer ionogel separator （PVDF-HFP/LiTFSI/EMIMBF4） and formulated ionic liquid electrolyte were employed. Such a quasi-solid state ASC could operate at 60℃ and delivered a maximum energy density of 70 Wh·kg^-1 at 1 kW·kg^-1.

关键词： solid-state supercapacitor nanohybrid electrode ionogel polymer electrolyte electrochemicalperformance

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Towards tailoring the viscoelasticity of liquid-liquid interfaces in emulsions: understanding phospholipid-protein interactions at the oil-water interface

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Food Hydrocolloids 2025年 169卷

作者： Kerstin Risse Jean-Luc Bridot Sabrina Bäther Leonard Sagis Stephan Drusch Technische Universität Berlin Faculty III Process Sciences Institute of Food Technology and Food Chemistry Department of Food Technology and Food Material Science Straße des 17. Juni 135 10623 Berlin Germany Teclis Scientific Civrieux-d'Azergues 69380 France Institute of Natural Materials Technology Chair of Food Engineering Technical University Dresden Bergstraße 120 01069 Dresden Germany Laboratory of Physics and Physical Chemistry of Foods Wageningen University Bornse Weilanden 9 6708WG Wageningen the Netherlands

In the food industry, oil-water emulsions often contain a mixture of phospholipids (PL) and proteins such as β-lactoglobulin (β-LG), resulting in either the displacement of β-LG by PL on the interface or co-existence driven by β-LG + PL interactions. The PL's molecular structure (headgroup, fatty acyl chain), as well as the system's pH and temperature, impact the extent of intermolecular PL-PL interactions. Differences in β-LG + PL interactions as a function of these parameters are also expected. This study aimed to analyse the effects of the molecular structure of PL on the interaction with β-LG at the oil-water interface, taking temperature cycles and the system's pH into account. PL with varying headgroups (choline PC, ethanolamine PE) and fatty acyl chain (FA; C18:0, C18:1) were used. The interfacial rheological properties at pH 3.5 and 6.5 were investigated within and outside the linear viscoelastic regime via dilatational and interfacial shear rheological measurements. Possible β-LG + PL interactions were tested in bulk via FTIR measurements. In the case of β-LG + saturated PL, an increase in the storage modulus was measured, while the interface behaved predominated viscous in the case of β-LG + unsaturated PL. It is, thus, assumed that the unsaturated PL fully displaced the protein from the interface while the saturated PL co-exist with β-LG, allowing β-LG + PL interactions to occur. In both dilatation and shear rheology, the PE 18:0 + β-LG ( small headgroup, saturated FA ) initially showed the strongest interface, possibly due to the formation of a crystalline PE:18:0 sublayer on the interface during the cooling step. The storage modulus increased further with decreasing pH due to attractive interactions between β-LG and PL's charged headgroup.

关键词： Displacement Co-existence Nonlinear interfacial rheology Dilatation Phase transition Crystallisation

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Studies on activated carbon mixed with CaO for CO2 adsorption

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AIP Conference Proceedings 2024年第1期2925卷

作者： Siti Sarahah Sulhadi Salma Samidin Norliza Dzakaria M. Rahimi Yusop Wan Nor Roslam Wan Isahak Mohd Ambar Yarmo Department of Chemical Sciences Faculty of Science and Technology Universiti Kebangsaan Malaysia 43600 UKM Bangi Selangor Malaysia Advanced Material for Environmental Remediation (AMER) Research Group Faculty of Applied Science Universiti Teknologi Mara (UiTM) Cawangan Negeri Sembilan Kampus Kuala Pilah 72000 Kuala Pilah Negeri Sembilan Malaysia Departmnent of Chemical and Process Engineering Faculty of Engineering and Built Environment Universiti Kebangsaan Malaysia 43600 UKM Bangi Selangor Malaysia

Carbon dioxide emission as part of the greenhouse effect had been the biggest hurdle to the continuity of humankind. Thus, CO2 adsorption and storage have been considered as one of the solutions to this biggest problem of 20th century. CaO and activated carbon are widely known as the best material for CO2 adsorption. This study used these two materials and determine if the combination of the materials will improve the adsorption capability. Activated carbon mixed with various concentration of CaO (10%, 20%, 30%, 40% and 50%) was prepared using wet impregnation method and calcined in 99.9% N2 at 850 °C for 1 hour. The samples were next characterized using X-Ray Diffraction (XRD) to determine crystallinity and N2 adsorption-desorption for analyzing surface area of the samples. Adsorption and desorption behavior of CO2 adsorption was determined using CO2-Temperature Programmed Desorption (TPD). N2 adsorption-desorption analysis had shown that samples surface area ranging from 126.7 m2 g−1 to 449.3 m2 g−1. XRD had also shown increasing intensity of peak CaO and Ca(OH)2 following the increasing amount of CaO mixed with activated carbon. 30% CaO mixed with activated carbon has shown the highest amount of CO2 desorbed in the TPD profile. At this level, we expected some physical-chemical interaction between CaO and activated carbon used in this study.

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Light-induced irreversible structural phase transition in trilayer graphene

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Light(Science & Applications) 2020年第1期9卷 335-345页

作者： Jianyu Zhang Jinsen Han Gang Peng Xi Yang Xiaoming Yuan Yongjun Li Jianing Chen Wei Xu Ken Liu Zhihong Zhu Weiqi Cao Zheng Han Jiayu Dai Mengjian Zhu Shiqiao Qin Kostya S.Novoselov Department of Physics National University of Defense Technology410073 ChangshaChina College of Advanced Interdisciplinary Studies National University of Defense Technology410073 ChangshaChina Hunan Key Laboratory of Super Micro-structure and Ultrafast Process School of Physics and ElectronicsCentral South University410083 ChangshaChina Quantum Design China(Beijing)Co. Ltd100015 BeijingChina Beijing National Laboratory for Condensed Matter Physics Institute of PhysicsChinese Academy of Sciences100190 BeijingChina School of Physical Sciences University of Chinese Academy of Sciences100049 BeijingChina Songshan Lake Materials Laboratory Dongguan 523808 GuangdongChina Chongqing 2D Materials Institute Liangjiang New Area400714 ChongqingChina Shenyang National Laboratory for Materials Science Institute of Metal ResearchChinese Academy of Sciences110016 ShenyangChina School of Material Science and Engineering University of Science and Technology of China230026 AnhuiChina State Key Laboratory of Quantum Optics and Quantum Optics Devices Institute of Opto-ElectronicsShanxi University030006 TaiyuanChina Department of Materials Science and Engineering National University of SingaporeSingapore 117575Singapore

A crystal structure has a profound influence on the physical properties of the corresponding *** synthesizing crystals with particular symmetries,one can strongly tune their properties,even for the same chemical configuration(compare graphite and diamond,for instance).Even more interesting opportunities arise when the structural phases of crystals can be changed dynamically through external *** abilities,though rare,lead to a number of exciting phenomena,such as phase-change memory *** the case of trilayer graphene,there are two common stacking configurations(ABA and ABC)that have distinct electronic band structures and exhibit very different *** walls exist in the trilayer graphene with both stacking orders,showing fascinating new physics such as the quantum valley Hall *** efforts have been dedicated to the phase engineering of trilayer ***,the manipulation of domain walls to achieve precise control of local structures and properties remains a considerable ***,we experimentally demonstrate that we can switch from one structural phase to another by laser irradiation,creating domains of different shapes in trilayer *** ability to control the position and orientation of the domain walls leads to fine control of the local structural phases and properties of graphene,offering a simple but effective approach to create artificial two-dimensional materials with designed atomic structures and electronic and optical properties.

关键词： structural walls phase

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Bioinspired Design of a Giant [Mn86] Nanocage-Based Metal-Organic Framework with Specific CO2Binding Pockets for Highly Selective CO2Separation

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Angewandte Chemie 2023年第32期135卷

作者： Shubo Geng Hang Xu Chun-Shuai Cao Prof. Tony Pham Prof. Bin Zhao Prof. Zhenjie Zhang Key Laboratory of Advanced Energy Material Chemistry (Ministry of Education) College of Chemistry Nankai University Tianjin 300071 China Tianjin Key Laboratory of Green Chemical Technology and Process Engineering and School of Chemistry Tiangong University Tianjin 300387 China Department of Chemistry University of South Florida 4202 East Fowler Avenue Tampa FL 33620 USA

Adsorption-based removal of carbon dioxide (CO 2 ) from gas mixtures has demonstrated great potential for solving energy security and environmental sustainability challenges. However, due to similar physicochemical properties between CO 2 and other gases as well as the co-adsorption behavior, the selectivity of CO 2 is severely limited in currently reported CO 2 -selective sorbents. To address the challenge, we create a bioinspired design strategy and report a robust, microporous metal–organic framework (MOF) with unprecedented [Mn 86 ] nanocages. Attributed to the existence of unique enzyme-like confined pockets, strong coordination interactions and dipole-dipole interactions are generated for CO 2 molecules, resulting in only CO 2 molecules fitting in the pocket while other gas molecules are prohibited. Thus, this MOF can selectively remove CO 2 from various gas mixtures and show record-high selectivities of CO 2 /CH 4 and CO 2 /N 2 mixtures. Highly efficient CO 2 /C 2 H 2 , CO 2 /CH 4 , and CO 2 /N 2 separations are achieved, as verified by experimental breakthrough tests. This work paves a new avenue for the fabrication of adsorbents with high CO 2 selectivity and provides important guidance for designing highly effective adsorbents for gas separation.

关键词： Gas Separation Metal–Organic Framework Trap for CO2

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The oil sorption behaviour investigation of Kapok (Ceiba pentandra (L.)) fiber

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AIP Conference Proceedings 2024年第1期2925卷

作者： M. Afiq Daniel Raja Adibah Raja Ahmad R. Hussin M. Adam Bukhori Hamidon Z. Harun M. Z. Yunos A. R. Ainuddin Department of Mechanical Engineering Technology Faculty of Engineering Technology Universiti Tun Hussein Onn Malaysia Hub Pendidikan Pagoh KM 1 Jalan Panchor 84600 Panchor Johor Malaysia Faculty of Mechanical and Manufacturing Engineering Universiti Tun Hussein Onn Malaysia Parit Raja Batu Pahat 86400 Johor Malaysia Integrated Material and Process Advanced Manufacturing & Materials Centre (AMMC) Faculty of Mechanical and Manufacturing Engineering Universiti Tun Hussein Onn Malaysia Parit Raja 86400 Batu Pahat Johor Malaysia Nano Structure and Surface Modification (NanoSurf) Faculty of Mechanical and Manufacturing Engineering Universiti Tun Hussein Onn Batu Pahat Johor Malaysia

As oil exploration and production activities have risen globally, water contamination from oil spills and the discharge of other oily wastewaters has emerged as one of the primary environmental concerns. Thus, Kapok fiber is considered in this study as it is known as one of the most effective method for cleaning up and collecting oil spills where Kapok is a natural cellulosic fiber with unique characteristics. A critical investigation was conducted to study the potential of kapok fiber as sorbent material, also analyze the surface properties of kapok fiber for the ability of kapok fiber to absorb oil and investigate the sorption mechanisms of kapok fiber. Therefore, the surface properties of kapok fiber were analyzed using SEM, FTIR, TGA and contact angle. To investigate the selectivity nature and the sorption capacity of 5 g kapok fiber, different types of oil and different apparent viscosity were used. The types of oil used are gear oil (low viscosity), vegetable oil-based cooking oil (medium viscosity) and waste oil (high viscosity). Kapok fiber was able to absorb all types of oil, with wasted oil absorbing the most about 17.88 g.g−1. Scanning electron microscopy (SEM) was used to examine the morphology of raw kapok fiber. In this study, kapok fiber was shown to have a porous hollow lumen structure and a waxy coating on the surface. Other than that, for the contact angle analysis, kapok fiber had high water contact angle up to 130˚. The water droplet was stood on the kapok fibers surfaces before and after absorption with contact angles ranging from 130˚ to 145˚. In contrast, the oil droplet had disappeared from the surfaces of kapok fiber within a few seconds.

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Modulation of Mo-Fe-C sites over mesoscale diffusion-enhanced hollow sub-micro reactors toward boosted electrochemical water oxidation

Research Square

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Research Square 2021年

作者： Gong, Feilong Liu, Mengmeng Gong, Lihua Ye, Sheng Jiang, Qike Zeng, Guang Zhang, Xiaoli Peng, Zhikun Zhang, Yonghui Fang, Shaoming Liu, Jian Key Laboratory of Surface and Interface Science and Technology of Henan Province College of Material and Chemical Engineering Zhengzhou University of Light Industry Henan Zhengzhou450001 China State Key Laboratory of Catalysis Dalian Institute of Chemical Physics Chinese Academy of Sciences Liaoning Dalian116023 China DICP-Surrey Joint Centre for Future Materials Department of Chemical and Process Engineering Advanced Technology Institute University of Surrey Guildford SurreyGU2 7XH United Kingdom Department of Applied Chemistry Anhui Agricultural University Hefei230036 China Henan Institutes of Advanced Technology State Centre for International Cooperation on Designer Low-Carbon & Environmental Materials School of Materials Science and Engineering Zhengzhou University Zhengzhou450001 China

Simultaneously engineering the mesoscale mass transfer and surface reactions on the electrode can promote the kinetics of oxygen evolution reaction (OER). Herein, we report the simultaneously modulation of the mesoscale diffusion and Mo-Fe-C sites formation over monodispersed hollow Fe@MoS2-C sub-micro reactors for boosted OER performance. According to finite element simulation and analysis, the hollow nanostructured MoS2-C host possessed much better mesoscale diffusion properties than its solid and yolk–shell counterparts. Notably, the sulfur vacancies and intercalated carbon in the sub-micro reactor offered a unique microenvironment for Fe anchoring on Mo-Fe-C sites. The stability and activity of the sites were revealed by theoretical calculations. The resultant Fe@MoS2-C presented an OER overpotential of 194 mV, which is much better than those of the Fe-based single-atom catalysts reported to data. Our monodispersed sub-micro reactor combined the advantage of mesoscale diffusion and single-atom sites, and it may have broad prospects for complex electrocatalytic reactions. © 2021, CC BY.

关键词： Molybdenum compounds

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BuRNN: Buffer Region Neural Network Approach for Polarizable-Embedding Neural Network / Molecular Mechanics Simulations

arXiv

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arXiv 2021年

作者： Lier, Bettina Poliak, Peter Marquetand, Philipp Westermayr, Julia Oostenbrink, Chris Institute for Molecular Modeling and Simulation Department of Material Sciences and Process Engineering University of Natural Resources and Life Sciences Vienna. Muthgasse 18 Vienna1190 Austria Department of Chemical Physics Institute of Physical Chemistry and Chemical Physics Faculty of Chemical and Food Technology Slovak University of Technology in Bratislava Radlinského 9 Bratislava812 37 Slovakia Institute of Theoretical Chemistry University of Vienna Währingerstraße 17 Vienna1090 Austria Department of Chemistry University of Warwick Gibbet Hill Road CoventryCV4 7AL United Kingdom

Hybrid quantum mechanics/molecular mechanics (QM/MM) simulations have advanced the field of computational chemistry tremendously. However, they require the partitioning of a system into two different regions that are treated at different levels of theory, which can cause artefacts at the interface. Furthermore, they are still limited by high computational costs of quantum chemical calculations. In this work, we develop BuRNN, an alternative approach to existing QM/MM schemes, which introduces a buffer region that experiences full electronic polarization by the inner QM region to minimize artefacts. The interactions between the QM and the buffer region are described by deep neural networks (NNs), which leads to high computational efficiency of this hybrid NN/MM scheme while retaining quantum chemical accuracy. We demonstrate the BuRNN approach by performing NN/MM simulations of the hexa-aqua iron complex. © 2021, CC BY.

关键词： Molecular modeling

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