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Basics of Fourier Analysis of Time Series Data 时间序列数据的傅立叶分析基础
IF 2.3 4区 化学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2022-01-01 DOI: 10.1595/205651322x16433652085975
Carl R. Tipton
There are few mathematical breakthroughs that have had as dramatic impact on the scientific process as the Fourier transform. Defined in 1807 in a paper by Jean Baptiste Joseph Fourier (1) to solve a problem in heat conduction, the integral transform, Equation (i):
很少有数学上的突破能像傅里叶变换那样对科学进程产生如此巨大的影响。Jean Baptiste Joseph Fourier(1)在1807年的一篇论文中定义了求解热传导问题的积分变换式(i):
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引用次数: 0
X-ray Computed Tomography for Failure Mechanism Characterisation within Layered Pouch Cells 层状袋状细胞内失效机制特征的x射线计算机断层扫描
IF 2.3 4区 化学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2022-01-01 DOI: 10.1595/205651322x16595441894422
Drasti Patel, H. Reid, Sarah Ball, D. Brett, P. Shearing
Lithium-ion battery (LIB) safety is a multi-scale problem: from the whole-cell architecture to its composite internal 3D microstructures. Substantial research is required to standardise failure assessments and optimise cell designs to reduce the risks of LIB failure. In this work, the failure response of a 1 Ah layered pouch cell with a commercially available NMC cathode and graphite anode at 100 % SOC (4.2 V) is investigated. The mechanisms of two abuse methods; mechanical (by nail penetration) and thermal (by accelerating rate calorimetry) are compared by using a suite of post-mortem analysis methods. Post-mortem whole-cell architectural changes and electrode layer deformations were analysed for both mechanisms using non-invasive X-ray computed tomography. Furthermore, changes to electrode surfaces, bulk microstructures and particle morphologies are compared by following a proposed cell disassembly and post-mortem sample preparation methodology. Building on the insights into critical architectural weak points, electrode behaviours and particle cracks, the reliability of X-ray computed tomography as a guide for LIB failure assessment is demonstrated.
锂离子电池(LIB)的安全性是一个多尺度问题:从整个电池结构到其复合内部三维微结构。需要大量的研究来标准化故障评估和优化电池设计,以降低LIB故障的风险。在这项工作中,研究了1 Ah层状袋状电池在100% SOC (4.2 V)下的失效响应,该电池具有市售的NMC阴极和石墨阳极。两种滥用方法的作用机制;机械(通过钉入)和热(通过加速量热法)通过使用一套死后分析方法进行比较。使用无创x射线计算机断层扫描分析了死后全细胞结构变化和电极层变形的两种机制。此外,电极表面,体微结构和颗粒形态的变化是通过以下提出的细胞拆卸和死后样品制备方法进行比较。基于对关键结构弱点、电极行为和颗粒裂纹的深入了解,证明了x射线计算机断层扫描作为LIB故障评估指南的可靠性。
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引用次数: 1
3D-Printed Photoelectrochemical Cell and its Application in Evaluation of BiVO4 Photoanodes 3d打印光电电化学电池及其在BiVO4光阳极评价中的应用
IF 2.3 4区 化学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2022-01-01 DOI: 10.1595/205651322x16457018428071
G. Dinesh, P. Dessì, Wenming Tong, Roberto González-Gómez, Pau Farràs
Sunlight-driven green hydrogen production is emerging as a promising contribution to carbon emission reduction, for which semiconductors as water splitting photocatalysts have arisen as potential materials to reach the worldwide climate goals at a low cost. As photoanode materials for oxygen evolution reaction (OER), bismuth-containing semiconducting metal oxides, such as BiVO4, Bi2WO6 and Bi2MoO6, have shown convincingly visible-light-driven photocatalytic activities due to their well-matching band gaps and redox potentials of valence/conduction band positions (1). In particular, BiVO4 demonstrated formidable photocatalytic performance for water splitting (2). However, BiVO4 often suffers from fast recombination of the photo-generated electron-hole pairs, which limits the electron flow in photoelectrochemical cells (3).
太阳能驱动的绿色氢气生产正在成为减少碳排放的有希望的贡献,其中半导体作为水分解光催化剂已经成为以低成本实现全球气候目标的潜在材料。作为析氧反应(OER)的光阳极材料,含铋半导体金属氧化物,如BiVO4、Bi2WO6和Bi2MoO6,由于其良好匹配的带隙和价/导带位置的氧化还原电位,已经显示出令人信服的可见光驱动光催化活性(1)。特别是BiVO4在水分解方面表现出强大的光催化性能(2)。BiVO4经常遭受光产生的电子-空穴对的快速重组,这限制了光电化学电池中的电子流(3)。
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引用次数: 0
Study on technical parameters and suitability of Pt-based metallic glasses for jewellery applications 首饰用pt基金属玻璃的技术参数及适用性研究
IF 2.3 4区 化学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2022-01-01 DOI: 10.1595/205651323x16577027080875
L. Schmitt, N. Neuber, M. Eisenbart, L. Cifci, O. Gross, U. E. Klotz, R. Busch
Jewellery-specific standardized tests as well as bulk metallic glasses (BMG)-specific testing methods were performed on a series of Platinum (Pt)-based BMGs with and without phosphorous, to evaluate their suitability as jewellery items. Their mechanical properties (elasticity, Young’s modulus as well as Yield stress) were determined by three-point beam bending measurements. Hardness, wear and corrosion resistance were tested in comparison to state of the art crystalline Pt-based jewellery alloys. The Pt-BMG alloys exhibit elastic elongation of about 2%. Compared to conventional crystalline Pt-alloys, their fracture strength of ca. 2 GPa and their hardness of ca. 450 HV1 is four and two times higher, respectively. However, the BMG show less abrasion resistance in the pin disc test than the conventional benchmark alloys, due to adhesive wear and micro cracking. Regarding the corrosion resistance in simulated body fluids, the BMG alloys reveal a slightly higher release of metals, while the tarnishing behaviour is comparable to the benchmark alloys. The P-free Pt-BMG alloy showed a pronounced tarnishing during exposure to air at elevated temperature. The outstanding thermoplastic formability, a special feature of amorphous metals that can be crucial for enabling novel and filigree designs, was determined and quantified for all BMG alloys.
对一系列含磷和不含磷的铂基金属玻璃(Pt)进行了珠宝专用标准化测试以及大块金属玻璃(BMG)专用测试方法,以评估其作为珠宝的适用性。它们的力学性能(弹性,杨氏模量和屈服应力)由三点梁弯曲测量确定。硬度,耐磨性和耐腐蚀性进行了测试,以比较最先进的结晶pt基珠宝合金。Pt-BMG合金的弹性伸长率约为2%。与常规结晶pt合金相比,其断裂强度约为2 GPa,硬度约为450 HV1,分别提高了4倍和2倍。然而,由于粘着磨损和微裂纹,BMG在销盘试验中的耐磨性低于常规基准合金。在模拟体液中的耐腐蚀性方面,BMG合金显示出稍高的金属释放量,而失去光泽的行为与基准合金相当。不含p的Pt-BMG合金在高温下暴露在空气中时表现出明显的失光。出色的热塑性成形性,非晶金属的一个特殊特征,对于实现新颖和丝状设计至关重要,被确定并量化了所有BMG合金。
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引用次数: 0
The Kelvin Redefinition and Practical Primary Thermometry 开尔文重定义与实用初级测温
IF 2.3 4区 化学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2022-01-01 DOI: 10.1595/205651323x16620342873795
G. Machin
In May 2019 four of the seven base units of the International System of Units (the SI) were redefined and are now founded on defined values of fundamental physical constants. One of these was the kelvin which is no longer defined by the triple point of water but instead through a fixed value of the Boltzmann constant. In this paper the kelvin redefinition is introduced and the implications for temperature traceability and practical temperature sensing discussed. This will include outlining new approaches for temperature traceability, as well as discussing the rise of in process calibration through practical primary temperature sensing approaches (where, in principle, no sensor calibration is required). These forthcoming changes are likely to have significant impact on everyone in the temperature calibration chain, whilst the advent of in process temperature calibration should lead to step change improvements in process control, energy efficiency and product quality consistency and will help facilitate autonomous production.
2019年5月,国际单位制(SI)的七个基本单位中有四个被重新定义,现在以基本物理常数的定义值为基础。其中之一是开尔文,它不再由水的三相点来定义,而是通过波尔兹曼常数的一个固定值来定义。本文介绍了开尔文的重新定义,并讨论了其在温度溯源和实际温度传感方面的意义。这将包括概述温度可追溯性的新方法,以及通过实际的主要温度传感方法讨论过程校准的兴起(原则上,不需要传感器校准)。这些即将到来的变化可能会对温度校准链中的每个人产生重大影响,而过程温度校准的出现应该会导致过程控制、能源效率和产品质量一致性的逐步改进,并有助于促进自主生产。
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引用次数: 1
Low Temperature and Pressure Single-Vessel Integrated Ammonia Synthesis and Separation using Commercial KATALCO Catalysts 使用商用KATALCO催化剂的低温和压力单容器集成氨合成和分离
IF 2.3 4区 化学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2022-01-01 DOI: 10.1595/205651322x16577001040526
Collin Smith, L. Torrente‐Murciano
In recent years, the potential for “green” ammonia produced from renewable energy has renewed the pursuit for a low-pressure, low-temperature ammonia synthesis process using novel catalysts capable to operate under these conditions. In past decades, the trend of decreasing the pressure in the existing Haber-Bosch process to the de facto limit of condensation at 80 bar has been achieved through catalysts such as iron-based ICI’s KATALCO 74-1. By replacing the separation of ammonia via condensation by absorption, the process loop can be integrated into a single-vessel at constant temperature, and the operating region drastically shifts to lower pressures (<30 bar) and temperatures (<380°C) unknown to commercial catalysts. Herein, the low-temperature and low-pressure activity of KATALCO 74-1 and KATALCO 35-8A catalysts is studied and compared to Ru/Cs/CeO2 catalyst known to have low-temperature activity through resistance to hydrogen inhibition. Due to its low-temperature and high-conversion activity, KATALCO 74-1 can be deployed in an integrated reaction and absorptive-separation using MnCl2/SiO2 as absorbent. Although further catalyst development is needed to increase compatibility with the absorbent in a feasible reactor design, this study clearly demonstrates the need to re-evaluate the viability of commercial ammonia synthesis catalysts, especially iron-based ones, for their deployment on novel green ammonia synthesis processes driven exclusively by renewable energy.
近年来,利用可再生能源生产“绿色”氨的潜力重新激发了人们对低压、低温氨合成工艺的追求,这种工艺使用了能够在这些条件下运行的新型催化剂。在过去的几十年里,通过ICI的KATALCO 74-1等铁基催化剂,已经实现了将现有Haber-Bosch工艺中的压力降低到80 bar的实际冷凝极限的趋势。通过吸收取代氨的冷凝分离,过程回路可以在恒温下集成到单个容器中,并且操作区域急剧转变为商业催化剂未知的较低压力(<30 bar)和温度(<380°C)。本文研究了KATALCO 74-1和KATALCO 35-8A催化剂的低温和低压活性,并与已知具有低温活性的Ru/Cs/CeO2催化剂进行了比较。由于其低温和高转化活性,KATALCO 74-1可以使用MnCl2/SiO2作为吸附剂进行综合反应和吸收分离。尽管在可行的反应器设计中,需要进一步的催化剂开发来增加与吸收剂的相容性,但本研究清楚地表明,需要重新评估商业氨合成催化剂的可行性,特别是铁基催化剂,以便将其部署在完全由可再生能源驱动的新型绿色氨合成工艺中。
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引用次数: 0
Guest Editorial: Innovation in the Manufacturing Sector: The Catalyst for a Decarbonised Future 嘉宾评论:制造业创新:脱碳未来的催化剂
IF 2.3 4区 化学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2022-01-01 DOI: 10.1595/205651322x16631684163315
M. Maroto-Valer
The imperative and urgency of the message is clear. We need to act now to avert the worst effects of the very real climate crisis tragedy looming on the horizon. The effects of climate change are becoming more ubiquitous, with heatwaves, wildfires, droughts and floods becoming more frequent. Even during the unprecedented COVID-19 pandemic, the climate crisis did not stop. In October 2020, the International Monetary Fund (IMF) stated a clear message: even in the midst of the COVID-19 crisis, we should mobilise to prevent the climate crisis. The negative impacts caused by climate change could be the equivalent of a pandemic crisis every year from the middle of the 21st century.
这一信息的必要性和紧迫性是显而易见的。我们需要立即采取行动,避免迫在眉睫的气候危机悲剧的最坏影响。气候变化的影响正变得越来越普遍,热浪、野火、干旱和洪水变得越来越频繁。即使在前所未有的COVID-19大流行期间,气候危机也没有停止。2020年10月,国际货币基金组织(IMF)发出了一个明确的信息:即使在2019冠状病毒病危机期间,我们也应动员起来防止气候危机。从21世纪中叶开始,气候变化造成的负面影响可能相当于每年一场流行病危机。
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引用次数: 0
Advanced Catalytic Technologies for Compressed Natural Gas – Gasoline Fuelled Engines 压缩天然气-汽油燃料发动机的先进催化技术
IF 2.3 4区 化学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2022-01-01 DOI: 10.1595/205651323x16669674224875
A. Wahbi, A. Tsolakis, J. Herreros, S. Zeraati-Rezaei, O. Doustdar, P. Millington, A. Raj
The main challenges of the CNG engine fuelling in terms of methane abatement in the aftertreatment system are addressed in this study by using different loaded PGM catalysts. A dual-fuel injection strategy of methane-gasoline was implemented where methane gas was port-injected into the intake in stoichiometric conditions at levels corresponding to 20 and 40% energy density replacement of gasoline fuel. High, medium, and low loaded Pd/Rh catalysts were used and compared to study the effect of PGM loading on the catalyst light-off activity for methane. Results indicate that increasing the Pd loading led to significantly earlier light-off temperatures achieved at relatively lower temperatures of 340, 350 and 395oC respectively. However, the benefit diminishes above Pd loading >142.5 g ft-3. The study has also demonstrated that NH3 is formed over the CNG catalyst due to steam-reforming reactions from the increased levels of methane in the exhaust with the dual-fuelling. Hence aftertreatment technologies such as SCR should be adopted to remove them. This further highlights the need to regulate the harmful NH3 emissions from future passenger cars fuelled with CNG. In addition, the benefits of the dual-fuel system in terms of lower engine output CO2, non-methane hydrocarbon (NMHC) and particulate matter (PM) emissions compared to the GDI mode alone are presented.
本研究通过使用不同负载的PGM催化剂,解决了CNG发动机加注在后处理系统中甲烷减排方面的主要挑战。采用甲烷-汽油双燃料喷射策略,在化学计量条件下,以相当于汽油燃料20%和40%能量密度的水平向进气口喷射甲烷气体。采用高、中、低负载Pd/Rh催化剂,对比研究了PGM负载对甲烷催化剂点燃活性的影响。结果表明,在340、350和395oC的较低温度下,增加Pd负载可显著提前达到起燃温度。然而,当Pd加载量超过142.5 g ft-3时,这种效果就会减弱。该研究还表明,由于双重燃料的废气中甲烷含量增加,蒸汽重整反应会在CNG催化剂上形成NH3。因此,应采用SCR等后处理技术来去除它们。这进一步凸显了监管未来以压缩天然气为燃料的乘用车有害NH3排放的必要性。此外,与GDI模式相比,双燃料系统在降低发动机输出二氧化碳、非甲烷烃(NMHC)和颗粒物(PM)排放方面的优势也得到了体现。
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引用次数: 0
Advanced Supports for Noble Metal Catalysts in Proton Exchange Membrane Water Electrolysers: A Review 质子交换膜水电解槽中贵金属催化剂的新型载体研究进展
IF 2.3 4区 化学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2022-01-01 DOI: 10.1595/205651323x16648726195503
P. Cabot, M. V. Martínez-Huerta, F. Alcaide
Renewable and low-carbon H2 gas will contribute to a future climate neutral economy as a fuel, clean energy carrier and/or feedstock. One of the main concerns when considering its production by the present proton exchange membrane water electrolysis (PEMWE) is the use of scarce and expensive noble metals as catalysts for the hydrogen and oxygen evolution reactions, HER and OER, respectively, because they contribute to increase the cost of the technology. In this sense, several strategies have been developed to overcome this drawback, such as optimising the catalyst loading in the electrodes and alloying and/or using alternative catalyst supports, always with the aim to maintain or even increase the electrolyser performance and durability. In this review, we examine the latest developments in HER and OER catalysts intended for PEMWE practical systems, which point in the short term to the use of Pt and Ir noble-metal nanoparticles highly dispersed at low loadings on conductive non-carbon supports.
可再生和低碳氢气作为燃料、清洁能源载体和/或原料,将为未来的气候中性经济做出贡献。考虑到目前质子交换膜电解(PEMWE)的生产,主要问题之一是使用稀缺和昂贵的贵金属作为析氢和析氧反应的催化剂,分别是HER和OER,因为它们会增加技术的成本。从这个意义上说,已经开发了几种策略来克服这一缺点,例如优化电极中的催化剂负载,合金化和/或使用替代催化剂支撑,始终以保持甚至提高电解槽的性能和耐用性为目标。在这篇综述中,我们研究了用于PEMWE实际系统的HER和OER催化剂的最新进展,这些进展表明,在短期内,Pt和Ir贵金属纳米颗粒在导电非碳载体上以低负荷高度分散。
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引用次数: 0
“Women in Nanotechnology” “纳米技术中的女性”
IF 2.3 4区 化学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2022-01-01 DOI: 10.1595/205651322x16379357955860
S. Coles
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引用次数: 0
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Johnson Matthey Technology Review
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