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Estimation of the main air pollutants from different biomasses under combustion atmospheres by artificial neural networks

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Chemosphere 2024年 352卷 141484页

作者： Monteiro, Thalyssa Oliveira Alves, Pedro Augusto Araújo da Silva de Almeida Nava Barradas Filho, Alex Oliveira Villa-Vélez, Harvey Alexander Cruz, Glauber Postgraduate Program in Mechanical Engineering (PPGMEC) Department of Mechanics and Materials Federal Institute of Education Science and Technology of Maranhão (IFMA) Maranhão São Luís Brazil Postgraduate Program in Computer Science and Computational Mathematics (PPG-CCMC) Department of Computer Science University of São Paulo (USP) São Carlos São Paulo Brazil Data Analysis and Artificial Intelligence Laboratory (DARTi) Department of Computational Engineering Federal University of Maranhão (UFMA) Maranhão São Luís Brazil Department of Chemical Engineering Federal University of Maranhão (UFMA) Maranhão São Luís Brazil Processes and Thermal Systems Laboratory (LPSisTer) Department of Mechanical Engineering Federal University of Maranhão (UFMA) Maranhão São Luís Brazil

The production of biofuels to be used as bioenergy under combustion processes generates some gaseous emissions (CO, CO2, NOx, SOx, and other pollutants), affecting living organisms and requiring careful assessments. H... 详细信息

The production of biofuels to be used as bioenergy under combustion processes generates some gaseous emissions (CO, CO₂, NO_x, SO_x, and other pollutants), affecting living organisms and requiring careful assessments. However, obtaining such information experimentally for data evaluation is costly and time-consuming and its in situ obtaining for regional biomasses (e.g., those from Northeast Brazil (NEB) is still a major challenge. This paper reports on the application of artificial neural networks (ANNs) for the prediction of the main air pollutants (CO, CO₂, NO, and SO₂) produced during the direct biomass combustion (N₂/O₂:80/20%) with the use of ultimate analysis (carbon, hydrogen, nitrogen, sulfur, and oxygen). 116 worldwide biomasses were used as input data, which is a relevant alternative to overcome the lack of experimental resources in NEB and obtain such information. Cross-validation was conducted with k-fold to optimize the ANNs and performance was analyzed with the use of statistical errors for accuracy assessments. The results showed an acceptable statistical performance for all architectures of ANNs, with 0.001–12.41% MAPE, 0.001–5.82 mg Nm⁻³ MAE, and 0.03–52.30 mg Nm⁻³ RMSE, highlighting the high precision of the emissions studied. On average, the differences between predicted and real values for CO, CO₂, NO, and SO₂ emissions from NEB biomasses were approximately 0.01%, 10⁻⁶%, 0.14%, and 0.05%, respectively. Pearson coefficient provided consistent results of concentration of the ultimate analysis in relation to the emissions studied and effectiveness of the test set in the developed models. © 2024 Elsevier Ltd

关键词： Brazilian northeastern Environmental statistics Evaluation metrics Gaseous emissions Predictive models Thermoconversion

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Investigation of a novel biocide material for biocorrosion in simulated seawater: A case study on Tinospora cordifolia extract

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Case Studies in Chemical and Environmental engineering 2024年 10卷

作者： Royani, Ahmad Hanafi, Muhammad Aigbodion, Victor Sunday Prastya, Muhammad Eka Verma, Chandrabhan Mubarak, Nabisab Mujawar Alfantazi, Akram Manaf, Azwar Research Center for Metallurgy National Research and Innovation Agency – BRIN Kawasan Puspiptek Banten Tangerang Selatan 15314 Indonesia Postgraduate Program of Materials Science Study Department of Physics Faculty of Mathematics and Natural Sciences Universitas Indonesia Depok 16424 Indonesia Research Center for Pharmaceutical Ingredients and Traditional Medicine National Research and Innovation Agency – BRIN Kawasan Puspiptek Banten Tangerang Selatan 15314 Indonesia Department of Metallurgical and Materials Engineering University of Nigeria Nsukka 410001 Nigeria Department of Chemical and Petroleum Engineering Khalifa University of Science and Technology P.O. Box 127788 Abu Dhabi United Arab Emirates Petroleum and Chemical Engineering Faculty of Engineering Universiti Teknologi Brunei Bandar Seri Begawan BE1410 Brunei Darussalam Department of Biosciences Saveetha School of Engineering Saveetha Institute of Medical and Technical Sciences Chennai India

This case report investigates the preventive effect of Tinospora cordifolia extract on biocorrosion induced by Pseudomonas aeruginosa on mild steel API 5L in the simulated seawater medium. Electrochemical techniques, spectroscopic techniques, and surface analysis were employed to investigate biocide performance and corrosion behavior. P. aeruginosa has been shown to enhance iron dissolution in seawater medium. These findings point to the role of P. aeruginosa bacteria in forming differential oxygen, which causes corrosion. Morphology results from atomic Fourier microscopy (AFM) highlight the presence of P. aeruginosa in biotic environments, where the surface is rougher than in abiotic conditions. On the other hand, adding T. cordifolia to the biotic medium resulted in a smoother and more homogeneous surface without any significant deterioration. Electrochemical findings reveal that adding 300 mg L⁻¹ of T. cordifolia extract prevents the microbiologically influenced corrosion (MIC) of steel API 5L, with an optimum effectiveness value of 74.50 % after 21 days of incubation. This protective effect is caused by forming a more compact iron oxide surface layer and the adsorption of phenolic active compounds such as Moupinamide and others on the surface of mild steel API 5L, as detected by liquid chromatography-mass/spectrometry-mass spectrometry (LCMS-MS), Fourier-transform infrared spectroscopy (FTIR) and field emission scanning electron microscopy (FE-SEM) techniques. © 2024 The Authors

关键词： Bio-corrosion Biofilm Green biocide Plant extract Pseudomonas aeruginosa Tinospora cordifolia

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Decoupling mechanical and chemical effects on energetics of coherent nanoprecipitates with interfacial segregation

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Scripta Materialia 2024年 250卷

作者： Chiu, Yu-ning Yen, Shao-yu Yu, Chung-yi Lin, Shih-kang Department of Materials Science and Engineering National Cheng Kung University Tainan70101 Taiwan Aluminum Prod R&D Section New Materials R&D Department Kaohsiung81233 Taiwan Research Center National Cheng Kung University Tainan70101 Taiwan Program on Smart and Sustainable Manufacturing Academy of Innovative Semiconductor and Sustainable Manufacturing National Cheng Kung University Tainan70101 Taiwan Core Facility Center National Cheng Kung University Tainan70101 Taiwan

Interfacial energetics for coherent interfaces are typically calculated using two key concepts: interfacial energy and coherency strain energy. Although these calculations are well-established in pristine systems, their direct application to doped systems often leads to inaccuracies. This is primarily because foreign solute atoms not only modify interfacial energetics but also introduce additional mechanical and chemical effects within the bulk phases. To address this, our study employs the PSTRESS tag in VASP to simulate equivalent lattice stresses induced by solute atoms without physically incorporating them. This novel approach allows us to isolate the doping energy caused by the solute atoms’ mechanical and chemical effects, thereby enhancing our understanding of the impacts of dopants solely on interfacial energetics. Furthermore, we extend the calculations of interfacial energy and coherency strain energy to doped interfaces, providing a precise and effective evaluation method for both bulk and interfacial energetics in doped systems. © 2024 Acta Materialia Inc.

关键词： Interfacial energy

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Molecular Insights into the Structure-Property Relationships of 3d Printed Polyamide Reverse-Osmosis Membrane for Desalination

SSRN

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SSRN 2022年

作者： He, Jinlong Yang, Jason McCutcheon, Jeffrey R. Li, Ying Department of Mechanical Engineering University of Connecticut StorrsCT06269 United States Division of Chemistry and Chemical Engineering California Institute of Technology PasadenaCA91125 United States Department of Chemical & Biomolecular Engineering Center for Environmental Sciences and Engineering University of Connecticut StorrsCT06269 United States Department of Mechanical Engineering Polymer Program Institute of Materials Science University of Connecticut StorrsCT06269 United States

3D-printing is an emerging method for manufacturing polyamide (PA) reserve osmosis (RO) membranes for water treatment and desalination, which can precisely control membrane structural properties, such as thickness, roughness, and resolution. However, the synthesis-structure (i.e., degree of cross-linking (DC), m-phenylenediamine/trimesoyl chloride (MPD/TMC) ratio, and membrane thickness) to property (permeability and water-salt selectivity) relationships for these membranes has not been well understood. At the same time, a microscopic understanding of the physical mechanism of water and salt transport is needed to guide the design of high-performance 3D-printed membranes and improve printing efficiency. Thus, the atomic-scale transport features and energetics of water and salt ions are studied at high pressure for the 3D-printed PA RO membranes with the different DCs and MPD/TMC ratios through non-equilibrium molecular dynamics (NEMD) simulations. Factoring in membrane structure properties, rejection ratio of salt ions and pressure-dependent water flux, 3D-printed PA membranes having an MPD/TMC ratio of 3.0:2.0 and a DC between 80%~90% attains ideal performance: high water flux, high rejection of salt ions, and excellent structural integrity. Mechanistically, water permeability for highly cross-linked PA RO membranes depends on the temporary on-and-off channels that allow water molecules to jump from one cavity to another at high pressure. In addition, higher pressures cause a rapid compaction of PA membranes’ free volume and membrane thickness. Membrane failure at high pressure is determined by the DC and MPD/TMC ratios-dependent compressive yield strength. In short, these findings provide physical insights for optimizing existing PA membranes and designing next-generation desalination membranes at the molecular level. © 2022, The Authors. All rights reserved.

关键词： Molecular dynamics

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Natural Alkaloids (Caffeine, Theobromine and Theophylline) as Dielectric Capping Layers for Gold and Aluminum Gate Electrodes in Low Operating Voltage Organic Field-Effect Transistors

IEEE Journal on Flexible Electronics

引用

IEEE Journal on Flexible Electronics 2025年

作者： Irimia, Cristian Vlad Yumusak, Cigdem Ban, Boyuan Leeb, Elisabeth Mayr, Felix Schimanofsky, Corina Mardare, Andrei Ionut Molnar, Maximilian Alexander Teichert, Christian Sariciftci, Niyazi Serdar Irimia-Vladu, Mihai Institute of Physical Chemistry Altenberger Str. 69 Linz4040 Austria Graz University of Technology in Graz Master of Science student in Advanced Materials Science program Austria Montanuniversität Leoben Chair of Physics Department of Physics Mechanics and Electrical Engineering Franz Josef Str. 18 Leoben8700 Austria Key Lab of Photovoltaic and Energy Conservation Materials Institute of Solid-State Physics Hefei Institute of Physical Science Hefei230031 China Altenberger Str. 69 Linz4040 Austria National Institute for Lasers Plasma and Radiation Physics Magurele077125 Romania

Three natural alkaloids: caffeine, theobromine and theophylline are reported for their application as dielectric layers in organic field effect transistors (OFETs) utilizing both gold and aluminum gate electrodes. After careful purification of the materials, a detailed analysis using x-ray diffraction spectroscopy (XRD), Fourier transform infrared spectroscopy (FTIR), contact angle (CA), impedance spectroscopy, amplitude modulated kelvin probe force microscope (AM-KPFM) and cyclic voltammetry (CV) is performed. OFET devices operating at typical voltages between 2 and 4 V have been fabricated with the investigated alkaloid films processed via blade coating (caffeine) or vacuum processing (theobromine and theophylline). The dielectric properties of these three alkaloids are measured in impedance spectroscopy and negligible leakage currents are observed when deposited in thin films as dielectric layers in OFETs on aluminum electrodes. There is a high tendency of these molecules to crystallize and form uneven surfaces. When the thin film forming properties are carefully controlled, organic alkaloids can be employed in applications involving implantable, transient or even edible electronics. © 2022 IEEE.

关键词： Fourier transform infrared spectroscopy

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Nernst-Ettingshausen effect in thin Pt and W films at low temperatures

arXiv

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arXiv 2023年

作者： Luo, Renjie Legvold, Tanner J. Chen, Liyang Natelson, Douglas Department of Physics and Astronomy Rice University HoustonTX77005 United States Applied Physics Graduate Program Smalley-Curl Institute Rice University HoustonTX77005 United States Department of Electrical and Computer Engineering Department of Materials Science and NanoEngineering Rice University HoustonTX77005 United States

As spin caloritronic measurements become increasingly common techniques for characterizing material properties, it is important to quantify potentially confounding effects. We report measurements of the Nernst-Ettingshausen response from room temperature to 5 K in thin film wires of Pt and W, metals commonly used as inverse spin Hall detectors in spin Seebeck characterization. Johnson-Nyquist noise thermometry is used to assess the temperature change of the metals with heater power at low temperatures, and the thermal path is analyzed via finite-element modeling. The Nernst-Ettingshausen response of W is found to be approximately temperature-independent, while the response of Pt increases at low temperatures. These results are discussed in the context of theoretical expectations and the possible role of magnetic impurities in Pt. Copyright © 2023, The Authors. All rights reserved.

关键词： Inverse problems

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A Bottom-Up, Multi-Scale Model for Transient Mass Transport of Redox-Active Species Through Porous Electrodes Beyond the Pseudo-Steady Limit

SSRN

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SSRN 2022年

作者： Hamid, Md Abdul Smith, Kyle C. Department of Mechanical Science and Engineering University of Illinois at Urbana-Champaign UrbanaIL61801 United States Department of Materials Science and Engineering University of Illinois at Urbana-Champaign UrbanaIL61801 United States Computational Science and Engineering Program University of Illinois at Urbana-Champaign UrbanaIL61801 United States Beckman Institute for Advanced Science and Technology University of Illinois at Urbana-Champaign UrbanaIL61801 United States

A transient, multi-scale model is introduced to capture the dynamic response of redox-active electrolyte flowing through porous electrodes under time-dependent current input. Unlike conventional models with time-invariant mass transfer coefficient, certain frequency-dependent transfer functions (TFs) are introduced to embed transient pore-scale transport physics into an up-scaled model. One of the introduced TFs is a spectral Sherwood number, that extends the film law of mass transfer to transient conditions. Another TF is introduced to capture the acceleration/suppression of solute advection resulting from inhomogeneity in local concentration distribution. The frequency dependence of these TFs is demonstrated for electrodes comprised of solid cylinders in crossflow. Three distinct spectral regions are observed, where with increasing frequency a transition from lagless response to semi-infinite Warburg response occurs. The results show orders of magnitude higher mass transfer rate for fast-changing applied current. These TFs are then embedded into an up-scaled model to obtain the time domain response of flow batteries. Analysis of concentration polarization and the average reactant concentration inside electrodes is used to construct non-dimensional maps of their operation space. From this analysis we find that fast current fluctuations can be sustained at conditions exceeding the limiting current that is expected for pseudo-steady operation. © 2022, The Authors. All rights reserved.

关键词： Flow batteries

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Eco-Friendly High Entropy Oxide Rock-Salt Type Structure for Oxygen Evolution Reaction Obtained by Green Synthesis Using Red Seaweed (Rhodophyta)

SSRN

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SSRN 2024年

作者： Santos, Jakeline RAIANE DORA DOS Raimundo, Rafael A. de Oliveira, João F.G.A. Hortencio, Johnnys da S. Loureiro, Francisco J.A. Macedo, Daniel A. Morales, Marco A. Gualandi, Isacco Tonelli, Domenica Gomes, Uílame U. Materials Science and Engineering Postgraduate Program UFRN Natal59078-970 Brazil Department of Industrial Chemistry "Toso Montanari" Industrial Chemistry UNIBO V.le Risorgimento 4 Bologna40136 Italy Department of Theoretical and Experimental Physics Federal University of Rio Grande do Norte UFRN Natal59078-970 Brazil Gleb Wataghin Institute of Physics - R. Sérgio Buarque de Holanda 777 - Cidade Universitária Campinas13083-859 Brazil Department of Chemistry Federal University of Paraíba UFPB João Pessoa58.051-900 Brazil TEMA - Centre for Mechanical Technology and Automation Mechanical Engineering Department University of Aveiro 3810-193 Portugal LASI - Intelligent Systems Associate Laboratory Portugal Materials Science and Engineering Postgraduate Program Federal University of Paraíba UFPB João Pessoa58051-900 Brazil

Global energy consumption increases year after year, causing the depletion of non-renewable sources. According to the International Energy Agency (IEA), global demand for electrical energy is expected to increase by 3.3% in 2024. Therefore, developing new renewable sources is urgent, including new devices for energy storage and conversion, particularly those governed by electrochemical reactions. Water splitting is a clean and sustainable technology capable of facing this issue by producing oxygen and hydrogen from water and electricity. However, a problem related to this technology is the slow kinetics, making it necessary to develop new electrocatalysts with high electrochemical performance. To meet this requirement, this work deals with for the first time a high entropy oxide with rock-salt structure synthesized by a green solgel synthesis using red seaweed (Rhodophyta) as polymerizing agent. Solgel synthesis allows the large-scale production of nanomaterials with high uniformity and dispersion of the chemical elements involved. The literature, which discussed the production of these oxides, reveals that agents harmful to the environment are applied during the synthesis steps, including sodium hydroxide, acetic acid, hexadecyltrimethylammonium bromide, urea, and ammonia. The composition of the high entropy oxide is (Mg0.2 Ni0.2 Co0.2 Cu0.2 Zn0.2 )O, it displays a low overpotential (336 mV vs. RHE at 10 mA cm-2 ), Tafel slope of 68 mV dec-1 , and excellent durability. The electrochemical performance of the high entropy oxide prepared in this work is superior to other electrocatalysts of the same class that were produced using transition metal-based precursors. © 2024, The Authors. All rights reserved.

关键词： Entropy

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CuO NWs boosted triboelectric microfluidic nanosensor functionalized by collagen-protein interactions for real-time platelet count monitoring

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Chemical engineering Journal 2024年 490卷

作者： Lin, Jia-Cheng Kaswan, Kuldeep Chatterjee, Subhodeep Wu, Yu-Wen Kumar Sharma, Manish Ranjan, Ashok Roy Barman, Snigdha Lin, Yu-Zih Burnouf, Thierry Boireau, Wilfrid Lu, Ming-Yen Tu, Yong-Kwang Su, I-Chang Wu, Ping-Hsiu Lin, Zong-Hong Fan, Yu-Jui School of Biomedical Engineering Taipei Medical University Taipei11031 Taiwan Taipei Neuroscience Institute Taipei Medical University Taipei11031 Taiwan Department of Biomedical Engineering National Taiwan University Taipei11031 Taiwan International Intercollegiate PhD Program National Tsing Hua University Hsinchu30013 Taiwan Department of Power Mechanical Engineering National Tsing Hua University Hsinchu30013 Taiwan Graduate Institute of Biomedical Materials and Tissue Engineering Taipei Medical University Taipei11031 Taiwan Department of Material Science and Engineering National Tsing Hua University Hsinchu30013 Taiwan Institute of Biomedical Engineering National Tsing Hua University Hsinchu30013 Taiwan International PhD Program in Biomedical Engineering Taipei Medical University Taipei11031 Taiwan Université de Franche-Comté CNRS Institut FEMTO-ST BesançonF-25030 France Department of Neurosurgery Shuang Ho Hospital Taipei Medical University New Taipei City23561 Taiwan Department of Surgery School of Medicine College of Medicine Taipei Medical University Taipei11031 Taiwan Department of Radiology School of Medicine College of Medicine Taipei Medical University Taipei11031 Taiwan Department of Radiation Oncology Taipei Medical University Hospital Taipei11031 Taiwan Center for Precision Health and Quantitative Sciences Taipei Medical University Hospital Taipei 11031 Taiwan

Blood platelet count significantly affects the development of severe conditions like myocardial infarction, peripheral arterial ischemia, respiratory compromise, stroke, diabetes, coronavirus disease 2019 (COVID-19), along with chemotherapy patients and those suffering cardiovascular diseases (CVDs). These conditions necessitate frequent monitoring of platelet counts to guide diagnostic and therapeutic decisions. However, existing techniques are relatively time-consuming, lack of accuracy and require precise operation. The emergence of these severe diseases underscored the need to develop advanced platelet count-monitoring techniques which are rapid, highly precise, and conveniently portable for point-of-care applications. In this study, we emphasized the development of a triboelectric microfluidic nanosensor (TMNS) for platelet quantification through the assessment of flow resistance. The functionality of TMNS device is based on immobilization of platelets on a collagen layer coated inside a microfluidic channel. The triboelectric voltage output is measured as a detection signal of the flow resistance and is enhanced by incorporating high surface area copper oxide nanowires (CuO NWs) on the interior of copper tubes. These copper tubes serve as terminal electrodes and for flow guiding. The flow resistance of plasma solutions is elevated when the platelet concentration increases due to heightened adherence of platelets onto the collagen layer. Variations in flow resistance induce alterations in contact electrification, causing changes in output voltage at load terminals. Fine-tuning of the TMNS device was achieved by optimizing the channel width and length, flowing liquid viscosity, and voltage measurement technique. Platelet quantification sensing data were acquired through the combination of platelet-rich plasma (PRP) and platelet-poor plasma (PPP) solutions. The described device exhibits promising capabilities for platelet-count monitoring in whole-blood samples c

关键词： Copper oxides

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Photonic Metacrystal: Design and Experimental Results

Photonic Metacrystal: Design and Experimental Results

引用

CLEO: science and Innovations, S and I 2022

作者： Hu, S. Khater, M. Kratschmer, E. Engelmann, S. Arnold, K.P. Green, W.M.J. Weiss, S.M. Department of Electrical and Computer Engineering Vanderbilt University NashvilleTN37235 United States IBM T J Watson Center 1101 Kitchawan Road Yorktown HeightsNY10598 United States INanoBio Inc 1600 Adams Drive Menlo ParkCA94025 United States Interdisciplinary Materials Science Program Vanderbilt University NashvilleTN37235 United States

ISBN: (纸本)9781557528209

Going beyond the limited design freedoms of traditional photonic crystals, we experimentally show how photonic metacrystals exploit the inclusion of subwavelength dielectric scatterers in the unit cell to deterministically modify k-space and real space profiles. © Optica Publishing Group 2022, © 2022 The Authors.

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