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Hydrogen spillover in nonreducible oxides:Mechanism and catalytic utilization

Nano Research 2022年第12期15卷 10357-10365页

作者： Songhyun Lee Hyungjun Kim Ryong Ryoo Jeong Young Park Minkee Choi Charles D.Davidson School of Chemical Engineering Purdue UniversityWest LafayetteIndiana47907USA Department of Chemical and Biomolecular Engineering Korea Advanced Institute of Science and TechnologyDaejeon34141Republic of Korea Department of Chemistry Korea Advanced Institute of Science and TechnologyDaejeon34141Republic of Korea KENTECH Laboratory for Chemical Environmental and Climate TechnologyKorea Institute of Energy Technology(KENTECH)200 Hyeoksin-roNaju58330Republic of Korea Center for Nanomaterials and Chemical Reactions Institute for Basic Science(IBS)Daejeon34141Republic of Korea

Hydrogen(H)spillover in nonreducible oxides such as zeolites and Al2O3 has been a highly controversial phenomenon in heterogeneous *** industrial catalysts are predominantly prepared using these materials as supports,it is important to understand the mechanism and catalytic functions of H spillover on their *** the past decade,fundamental studies on zeolite-encapsulated metal catalysts have revealed that H spillover and reverse spillover can be utilized in the design of hydrogenation and dehydrogenation catalysts with improved *** experimental and theoretical studies have indicated that H spillover can occur in nonreducible oxides when they possess substantial acid sites that aid the surface migration of active *** the present review,we will discuss the possible mechanisms of H spillover in nonreducible oxides and the unique opportunities of using this phenomenon for the design of advanced hydroprocessing catalysts.

关键词： hydrogen spillover nonreducible oxides zeolites hydroprocessing catalysts

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Coarse-grained molecular dynamics simulations of mixtures of polysulfamides

RSC Applied Polymers

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RSC Applied Polymers 2025年第2期3卷 453-468页

作者： Shah, Jay Jayaraman, Arthi Department of Chemical and Biomolecular Engineering University of Delaware Colburn Lab 150 Academy Street Newark 19716 DE United States Department of Materials Science and Engineering University of Delaware 201 DuPont Hall Newark 19716 DE United States Data Science Institute University of Delaware Ammon Pinizzotto Biopharmaceutical Innovation Center Suite 147 590 Avenue 1743 Newark 19713 DE United States

Polysulfamides are a new class of polymers that exhibit favorable chemical and physical properties, making them a sustainable alternative to commodity polymers like polyurea. To advance the fundamental understanding of this new class of polymers, Wu et al. [Z. Wu, J. W. Wu, Q. Michaudel and A. Jayaraman, Macromolecules, 2023, 56, 5033-5049]conducted experiments and coarse-grained (CG) molecular dynamics (MD) simulations to connect the polysulfamide backbone design to the assembled structure of polysulfamides due to hydrogen bonding between sulfamides. Their CG MD simulations qualitatively reproduced experimentally observed trends in crystallinity for analogous variations in polysulfamide backbone designs. To bring chemical specificity to this generic CG model of Wu et al. and to facilitate quantitative agreement with experiments in the future, in this work, we modify this older CG model of Wu et al. using structural information from atomistic simulations. Atomistic angle and dihedral distributions involving the sulfamide functional groups are used to modify the donor and acceptor bead positions in the new CG model. Using MD simulations with this new atomistically informed CG model, we confirm that we obtained the structural trends with varying polysulfamide backbone length, bulkiness, and non-uniformity of the segments in repeat units as seen in the previous work by Wu et al. These key structural trends are as follows: (a) shorter contour lengths of segments between sulfamide groups enhance H-bonding between sulfamides, (b) increased bulkiness in the segment hinders sulfamide-sulfamide H-bonding and reduces orientational order among chains in the assembled structure, and (c) non-uniformity in the segments along the backbone does not affect orientational order in the assembled structure. While the trends qualitatively matched between the two models, we observe quantitatively higher positional order and lower orientational order among the assembled chains in the new C

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Graphene-functionalized textile composites for wearable Joule heating applications

Advanced Nanocomposites

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Advanced Nanocomposites 2025年 2卷 108-123页

作者： Omar Faruk Abbas Ahmed Ashfaqul Hoque Khadem Lu Jia Luyi Sun Department of Materials Science and Engineering Binghamton University State University of New York at Binghamton NY 13902 USA Polymer Program Institute of Materials Science and Department of Chemical & Biomolecular Engineering University of Connecticut Storrs CT 06269 USA Department Mechanical Engineering College of Engineering Computing and Applied Science Clemson University Clemson SC 29634 USA College of Textile Engineering Taiyuan University of Technology Jinzhong Shanxi 030600 China

Thermal comfort is essential for maintaining physiological well-being, with textile materials traditionally serving as the primary medium for regulating heat exchange between the body and its environment. However, conventional textiles often fall short of maintaining optimal thermal balance. So, there is an increasing demand for advanced thermoregulation systems that can effectively reduce heat loss and enhance warmth, ensuring consistent comfort. Recent research has highlighted the promise of advanced functional materials, especially graphene and its composites, for modifying textiles to improve thermal properties. This article comprehensively reviews recent advancements in graphene-functionalized textile composites, focusing on their applications in wearable Joule heaters designed for personalized thermal comfort or thermal therapy. Various graphene-functionalized textile composites are reviewed from the perspectives of material properties, processing strategies and device fabrication methods. Key challenges and future opportunities are summarized for graphene-functionalized textile-based Joule heaters as innovative solutions in wearable thermal regulation.

关键词： Graphene Textile Composite Wearable electronics Joule heater

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The Indoor People Tracking and Counting System

The Indoor People Tracking and Counting System

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2023 International Automatic Control Conference, CACS 2023

作者： Lin, Hao-Pu Han, Chin-Chuan Liao, Jun-Wei Ciou, Chong-Han Hong, Yi-Cheng Tan, Ming-Lun National United University Ph. D. Program in Material and Chemical Engineering MiaoLi Taiwan National United University Department of Computer Science and Information Engineering MiaoLi Taiwan

ISBN: (纸本)9798350306354

COVID-19 outbreaks and becomes serious from 2019 winter. Taking body temperature, wearing masks, recording footprint and avoiding crowds become important tasks and require a lot of manpower support for the prevention of the epidemic in every. In this study, we have integrated the infrared thermometer devices to measure people temperature and the people identities through RGB images at the entrance of buildings. Using the computer vision and deep learning methods, we would like to build a 24/7 and region-wide coverage assistance system to automatically record the footprint of a specific people in the building. We also detect if people taking off their masks in the yard at any time. The processing videos are grabbed from the existing CCTV systems. The developed system also locates the crowd and calculate the number of people in a specified area, and the manager can know the number of people and control the access in real time. It will reduce the burden of manpower. In addition, we have optimized the system performance to handle multiple camera videos and to reduce the hardware cost at the same time. © 2023 IEEE.

关键词： Access control

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Combustion Profile of Bio-pellet Produced from Sawdust Using Wet Torrefaction Method with Various Concentrations of Acetic Acid 4

Combustion Profile of Bio-pellet Produced from Sawdust Using...

引用

4th International Symposium on Advances and Innovation in Mechanical engineering, ISAIME 2023

作者： Pertiwi, Indah Ayu Muhammad Abubakar Setiawan, Adi Iskandar, Rizky Magister Program in Renewable Energy Engineering Faculty of Engineering Universitas Malikusssaleh Jalan Batam Bukit Indah Lhokseumawe24352 Indonesia Chemical Engineering Department Faculty of Engineering Universitas Malikussaleh Kampus Bukit Indah Muara Satu Lhokseumawe24352 Indonesia Mechanical Engineering Vocational Education Study Program Faculty of Teaching and Educational Science Universitas Malikussaleh Cot Teungku Nie Reuleut Muara Batu Aceh Utara24355 Indonesia Mechanical Engineering Department Faculty of Engineering Universitas Malikusssaleh Jalan Batam Bukit Indah Lhokseumawe24352 Indonesia

Sawdust is one of the industrial wastes which naturally contains low energy density. An effective method is needed to utilize this biomass as a solid fuel product. This work aimed to investigate the physical and combustion properties of bio-pellets produced from sawdust under the wet torrefaction method. To prepare sawdust bio-pellet a number of steps were carried out including the wet torrefaction process, dough preparation, pelletizing, and drying. Wet torrefaction was performed by hydrothermally treating the sample in an autoclave at a temperature of 130°C and pressure of 2 atm (g) for 80 minutes. For the hydrothermal process, the used acetic acid solution was varied with variations of 1.3 M, 1.8 M, and 2.3 M. Properties of the product were analyzed under proximate and bomb calorimetry analyses. To evaluate the combustion properties a purposely built test apparatus was developed equipped with a data logger system. Based on the results it can be observed that increases in torrefaction temperature and acetic acid concentration resulted in an increase in the calorific value as well as decreases in the ash content. The highest calorific value was 4745 kcal/kg obtained from sawdust torrefied in acetic acid with a concentration of 2.3 M at a temperature of 130?. This sample also exhibits the lowest ash content which is only 1.97%. The combustion test disclosed a maximum combustion temperature of 589? with a burning rate of 0.711 g/min. Overall, the wet torrefaction applied in this investigation was beneficially enhanced the properties of bio-pellet products. © 2025 Institute of Physics Publishing. All rights reserved.

关键词： Sawdust

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Harnessing Large Language Model to collect and analyze Metal-organic framework property dataset

arXiv

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arXiv 2024年

作者： Lee, Wonseok Kang, Yeonghun Bae, Taeun Kim, Jihan Department of Chemical and Biomolecular Engineering Korea Advanced Institute of Science and Technology Daejeon Korea Republic of

This research was focused on the efficient collection of experimental Metal-Organic Framework (MOF) data from scientific literature to address the challenges of accessing hard-to-find data and improving the quality of information available for machine learning studies in materials science. Utilizing a chain of advanced Large Language Models (LLMs), we developed a systematic approach to extract and organize MOF data into a structured format. Our methodology successfully compiled information from more than 40,000 research articles, creating a comprehensive and ready-to-use dataset. The findings highlight the significant advantage of incorporating experimental data over relying solely on simulated data for enhancing the accuracy of machine learning predictions in the field of MOF research. © 2024, CC BY.

关键词： Large datasets

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An Anti-Plasma Etching Film of Y2O3 Film 10

An Anti-Plasma Etching Film of Y2O3 Film

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10th International Conference on Applied System Innovation, ICASI 2024

作者： Wei, Chia-Chih Chen, Hsuan-Jung Lee, Yi-Mu Chang, Shao-Fu Chen, Chien-Chon College of Engineering and Science Ph.D. Program in Materials and Chemical Engineering National United University Miaoli Taiwan Michigan State University Department of Chemistry MI48824 United States National United University Department of Electronic Miaoli Taiwan National United University Department of Energy Engineering Miaoli Taiwan

ISBN: (纸本)9798350394924

In this paper, we have presented our experiment results including (a) use a slowly thermal spray process deposition an yttrium oxide (Y2O3) film with thickness of $200\ \mu\mathrm{m}$ on the aluminum alloy (AA6061). The image analysis showed that the porosity of Y2O3 film can be reduced to less than 2%. The further aerosol deposition can be used filling the pores and can reduce the porosity of the film to less than 0.5%. This low-porosity Y2O3 film will be able to meet the increasingly stringent requirements for surface coating protection of semiconductor vacuum chamber. (b) Compared the corrosion characterization in 3.5 wt. % NaCl solution between naked AA6061 and AA6061 with Y2O3 coating, a high corrosion reactivity ($\mathrm{I}_{\text{corr}}=10^{-3.3}\mathrm{A}/\text{cm}^{2}$) of naked AA6061 then AA6061 with Y2O3 coating ($\mathrm{I}_{\text{corr}}=10^{-5.8}\mathrm{A}/\text{cm}^{2}$). The corrosion reactivity of AA6061 with Y2O3 is reduced by 316 times to a naked AA6061. © 2024 IEEE.

关键词： Porosity

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Control of structure and dynamics in polymer-networked engineered nanoparticle arrays by electric fields

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Physical Review Research 2023年第2期5卷 L022057-L022057页

作者： Xingfei Wei Ewa Harazinska Rigoberto Hernandez Department of Chemistry Department of Chemical & Biomolecular Engineering and Department of Materials Science and Engineering Johns Hopkins University Baltimore Maryland 21218 USA

Polymer-networked nanoparticles are the basis for advanced materials useful for wearable electronics, drug delivery, autonomous computing, and other applications. To characterize and predict the physics and underlying mechanisms of the network connections in two-and three-dimensional engineered nanoparticle arrays, we developed an analogous Potts model of three-state sites. Together with dissipative particle dynamics simulations, we found that the network structures in polymer-linked nanoparticle assemblies are generally dominated by the number of nearest neighbors and not the topology of the lattice. When the E field regulates the network connections, the links along the E-field direction always dominate the overall network structure.

关键词： Polymer-nanoparticle composites Dissipative particle dynamics Mean field theory Monte Carlo methods Potts model

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Advanced process and methods of drug delivery process

Advanced process and methods of drug delivery process

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作者： Peixuan Lu Department of Chemical and Biomolecular Engineering Hong Kong University of Science and Technology

Drug delivery is defined as the approaches,methods and technologies involved in transporting a drug or biological agent to the target site in order to achieve a desired therapeutic *** usual purpose of drug delivery is to improve the bioavailability,duration and therapeutic effects of drugs,while to overcome the shortcomings such as the drug aggregation problem,limited solubility and poor absorption,along with potential side-effects in clinical therapeutic *** this article,the process of drug delivery is divided into four parts:the route of administration,the stealth technology for drugs,the targeting technology for drugs,and the triggering technology for ***,roles and methods of all the four parts are briefly *** technologies of drug delivery,such as biomimetic modification and surface-charged drug carrier particles for stealth,microenvironment-sensitive ligands branched on drug carrier particles and even heavy metal compounds for targeting,and different triggering methods are concisely reviewed.

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Nanoconfinement effect of nanoporous carbon electrodes for ionic liquid-based aluminum metal anode

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Journal of Energy Chemistry 2022年第11期31卷 121-127,I0005页

作者： Juhee Yoon Seongbak Moon Son Ha Hyung-Kyu Lim Hyoung-Joon Jin Young Soo Yun Program in Environmental and Polymer Engineering Inha UniversityIncheon 22212South Korea Department of Polymer Science and Engineering Inha UniversityIncheon 22212South Korea KU-KIST Graduate School of Converging Science and Technology Korea UniversitySeoul 02841South Korea Division of Chemical Engineering and Bioengineering Kangwon National UniversityGangwon-do 24341South Korea Department of Integrative Energy Engineering Korea UniversitySeoul 02841South Korea

Rechargeable aluminum batteries(RABs),which use earth-abundant and high-volumetric-capacity metal anodes(8040 m Ah cm-3),have great potential as next-generation power sources because they use cheaper resources to deliver higher energies,compared to current lithium ion ***,the mechanism of charge delivery in the newly developed,ionic liquid-based electrolytic system for RABs differs from that in conventional organic ***,targeted research efforts are required to address the large overpotentials and cycling decay encountered in the ionic liquid-based electrolytic *** this study,a nanoporous carbon(NPC)electrode with well-developed nanopores is used to develop a high-performance aluminum *** negatively charged nanopores can provide quenched dynamics of electrolyte molecules in the aluminum deposition process,resulting in an increased collision *** fast chemical equilibrium of anionic species induced by the facilitated anionic collisions leads to more favorable reduction reactions that form aluminum *** nanoconfinement effect causes separated nucleation and growth of aluminum nanoparticles in the multiple confined nanopores,leading to higher coulombic efficiencies and more stable cycling performance compared with macroporous carbon black and 2D stainless steel electrodes.

关键词： Nanoconfinement effect Nanoporous carbon Ionic liquid electrolyte Metal anode Aluminum batteries Multivalent batteries

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