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Extension of a Zero-Dimensional Mixing-Controlled Combustion Model for the Development of a NOx–Free System Based on the Oxy-Combustion Concept 基于全氧燃烧概念的无nox系统开发的零维混合控制燃烧模型的扩展
4区 化学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2023-01-01 DOI: 10.1595/205651324x16963284171824
José R. Serrano, J. Javier López, Jaime Martín, Gabriela Bracho
Oxy-combustion is a promising concept to achieve an extremely clean combustion, independently of the fuel type, because, on the one hand, it is a NOx-free combustion and, on the other hand, the CO2 produced during combustion can be easily captured once the water vapor is removed from the exhaust gases stream, consequently allowing also carbon neutral operation. An existing 0D, mixing-controlled combustion model, developed for a standard diesel combustion scenario, has been adapted to the oxy-fuel combustion scenario. Initially, the model over-predicted the heat release at the end of the combustion process. The main model adaptation was to modify the relationship between the average YO2 and the effective YO2 (i.e. the one of the charge actually entrained by the spray), to be consistent with the significant increase in compression ratio needed in the oxy-fuel context. As a result, a model able to correctly predict the combustion behaviour at any operating condition has been obtained, which finally represents a very suitable tool to assist in the concept development.
氧燃烧是一个很有前途的概念,可以实现非常清洁的燃烧,与燃料类型无关,因为一方面,它是一种无nox的燃烧,另一方面,燃烧过程中产生的二氧化碳可以很容易地捕获,一旦水蒸气从废气流中除去,因此也允许碳中和操作。现有的0D混合控制燃烧模型是为标准柴油燃烧场景开发的,已经适应了全氧燃料燃烧场景。最初,该模型过度预测了燃烧过程结束时的热量释放。主要的模型调整是修改平均YO2和有效YO2(即喷雾实际携带的电荷之一)之间的关系,以与纯氧燃料环境中所需的压缩比的显着增加保持一致。因此,一个能够正确预测在任何工况下燃烧行为的模型已经获得,这最终代表了一个非常合适的工具来协助概念的发展。
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引用次数: 0
Hydrogen Use in a Dual-Fuel Compression-Ignition Engine with Alternative Biofuels 氢在双燃料压缩点火发动机与替代生物燃料中的应用
4区 化学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2023-01-01 DOI: 10.1595/205651324x16963489202714
José Rodríguez-Fernández, Ángel Ramos, Víctor M. Domínguez, Blanca Giménez, Miriam Reyes, Juan J. Hernández
Recent progress has been made towards decarbonization of transport, which accounts for one quarter of the global carbon dioxide emissions. For the short-medium term, new EU and national energy and climate plans agree on a strategy based on the combination of increasing shares of electric vehicles with the promotion of sustainable fuels, especially if produced from residual feedstock and routes with low or zero net carbon emission. Hydrogen stands out among these fuels for its unique properties. This work analyses the potential of using hydrogen in a dual-fuel, compression-ignition engine running with three diesel-like fuels (conventional fossil diesel, advanced biodiesel and hydrotreated vegetable oil-HVO) and different hydrogen energy substitution ratios. The results were confronted with conventional diesel operation, revealing that dual-fuel combustion with hydrogen demands higher EGR rates and more advance combustion, leading to a remarked reduction of NOx emission at the expense of a penalty in energy consumption due mainly to unburnt hydrogen and wall heat losses. Unreacted hydrogen was ameliorated at high load. At low load, the use of biodiesel dual combustion permitted higher hydrogen substitution ratios and higher efficiencies than diesel and HVO.
最近在交通运输脱碳方面取得了进展,交通运输占全球二氧化碳排放量的四分之一。在中短期内,新的欧盟和国家能源和气候计划达成了一项战略,该战略基于增加电动汽车的份额与促进可持续燃料的结合,特别是如果由剩余原料和低或零净碳排放的路线生产。氢以其独特的性质在这些燃料中脱颖而出。本研究分析了在使用三种类柴油燃料(传统化石柴油、先进生物柴油和加氢处理植物油)和不同氢能替代比的双燃料压缩点火发动机中使用氢的潜力。研究结果与传统柴油工况进行了对比,结果表明,氢双燃料燃烧需要更高的EGR率和更早的燃烧,从而显著减少了氮氧化物排放,但代价是能源消耗的损失,主要是由于未燃烧的氢和壁面热损失。未反应氢在高负荷下得到改善。在低负荷情况下,生物柴油双燃烧比柴油和HVO具有更高的氢替代率和效率。
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引用次数: 0
A Review of the Sources, Environmental Behaviors, and Human Health of Atmospheric Microplastics 大气中微塑料的来源、环境行为和人体健康研究进展
4区 化学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2023-01-01 DOI: 10.1595/205651324x16964141254874
Bowen Zhang, Rencheng Zhu, Yunjing Wang
The article places emphasis on the latest advancements in this field, particularly focusing on indoor and outdoor microplastic (MP) pollution, including their emission, behavior, and potential health hazards. Gaining an in-depth understanding of these factors is crucial for devising effective strategies to mitigate the impact of microplastics (MPs) on human health and the environment. Indoor MP abundance is generally higher than outdoor levels, with textiles serving as a primary source of indoor airborne MPs. Traffic-derived MP particles, MP fibers in residential areas, agricultural plastic mulch, marine MPs, and landfill sites appear to be contributors to outdoor atmospheric MP pollution. Factors such as wind direction, wind speed, precipitation, and snowfall, along with the physical characteristics and secondary suspension of MPs, collectively influence their behavior, distribution, and fate. Inhalation and ingestion constitute the main exposure pathways for airborne MPs, potentially leading to health issues like respiratory inflammation. Therefore, gaining a deeper insight into the behavior and impact mechanisms of atmospheric MPs aids in formulating effective risk management strategies to safeguard human health and maintain environmental sustainability.
本文重点介绍了该领域的最新进展,特别是室内和室外微塑料(MP)污染,包括其排放,行为和潜在的健康危害。深入了解这些因素对于制定有效战略以减轻微塑料对人类健康和环境的影响至关重要。室内MP丰度通常高于室外水平,纺织品是室内空气中MP的主要来源。交通产生的多聚氰胺颗粒、居民区的多聚氰胺纤维、农用塑料地膜、海洋多聚氰胺和垃圾填埋场似乎是造成室外大气多聚氰胺污染的原因。风向、风速、降水和降雪量等因素,以及MPs的物理特性和次生悬浮,共同影响着它们的行为、分布和命运。吸入和摄入是空气中多磺酸盐的主要暴露途径,可能导致呼吸道炎症等健康问题。因此,深入了解大气MPs的行为和影响机制有助于制定有效的风险管理策略,以保障人类健康和保持环境的可持续性。
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引用次数: 0
Mechanochemistry: A Green and Fast Method to Prepare A New Generation of Metal Supported Catalysts 机械化学:一种绿色快速制备新一代金属负载催化剂的方法
4区 化学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2023-01-01 DOI: 10.1595/205651323x16933888986996
Maila Danielis, Sara Colussi, Núria J. Divins, Lluís Soler, Alessandro Trovarelli, Jordi Llorca
In this review, we report on recent advances in the use of mechanochemistry to synthesize new catalytic materials. We report recent results obtained by our groups where a rational design of the milling parameters led to the synthesis of advanced materials with novel properties such as unconventional arrangements of metals on the surface of oxide support materials, highly dispersed metals or the stabilization of species in particular oxidation states. These properties resulted in superior catalytic performances of the mechanochemically-synthesized catalysts compared to their counterparts prepared by traditional impregnation methods. To illustrate these advances, we review the progress made in two important fields of catalysis where noble metals are used: (i) emission-control catalysis using Pd-based materials, and (ii) the development of photocatalysts to produce hydrogen based on Au and Pd materials.
本文综述了机械化学在合成新型催化材料方面的最新进展。我们报告了我们小组最近获得的结果,其中合理设计的铣削参数导致合成具有新特性的先进材料,例如氧化物支撑材料表面的非常规金属排列,高度分散的金属或特定氧化状态下物种的稳定。这些特性使得机械化学合成的催化剂的催化性能优于传统浸渍法制备的催化剂。为了说明这些进展,我们回顾了贵金属在催化的两个重要领域的进展:(i)使用钯基材料的排放控制催化,以及(ii)基于金和钯材料的光催化剂的发展。
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引用次数: 1
Guest Editorial: The Continuing Importance of Platinum Group Metals 嘉宾评论:铂族金属的持续重要性
IF 2.3 4区 化学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2023-01-01 DOI: 10.1595/205651323x16850003560865
Emma Schofield
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引用次数: 0
X-Ray Computed Tomography for Failure Mechanism Characterisation within Layered Pouch Cells: Part II 层状袋状细胞内失效机制特征的x射线计算机断层扫描:第二部分
IF 2.3 4区 化学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2023-01-01 DOI: 10.1595/205651323x16686891950941
Drasti Patel, H. Reid, Sarah Ball, D. Brett, P. Shearing
In Part I (1), the failure response of a 1 Ah layered pouch cell with a commercially available nickel manganese cobalt (NMC) cathode and graphite anode at 100% state of charge (SOC) (4.2 V) was investigated for two failure mechanisms: thermal and mechanical. The architectural changes to the whole-cell and deformations of the electrode layers are analysed after failure for both mechanisms. A methodology for post-mortem cell disassembly and sample preparation is proposed and demonstrated to effectively analyse the changes to the electrode surfaces, bulk microstructures and particle morphologies. Furthermore, insights into critical architectural weak points in LIB pouch cells, electrode behaviours and particle cracking are provided using invasive and non-invasive X-ray computed tomography techniques. The findings in this work demonstrate methods by which LIB failure can be investigated and assessed.
在第一部分(1)中,研究了在100%荷电状态(4.2 V)下,采用镍锰钴(NMC)阴极和石墨阳极的1 Ah层状袋状电池在热、机械两种失效机制下的失效响应。分析了两种机构失效后整个细胞的结构变化和电极层的变形。提出并演示了一种用于死后细胞拆卸和样品制备的方法,以有效分析电极表面,体微结构和颗粒形态的变化。此外,利用侵入性和非侵入性x射线计算机断层扫描技术,深入了解LIB袋状细胞的关键结构弱点、电极行为和颗粒开裂。这项工作的发现证明了可以调查和评估LIB故障的方法。
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引用次数: 0
Potential of Hydrogen Internal Combustion Engine for the Decarbonized Passenger Vehicle 氢内燃机在脱碳乘用车中的潜力
4区 化学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2023-01-01 DOI: 10.1595/205651324x16965074891718
Seung Woo Lee, Hong-kil Baek, Kyeonghyeon Lee
CO2 regulations are becoming very stringent due to the goal of reducing greenhouse gases and achieving carbon neutrality. It has already become a common situation that electric vehicles are emerging as eco-friendly power systems rather than vehicles equipped with conventional internal combustion engines, and their share in the market is increasing. However, even with an internal combustion engine, CO2 can be drastically reduced if a carbon-free fuel such as hydrogen is used. Raw NOx emissions can be overcome to a certain level through ultra-lean burn operation, but in order to balance the amount of hydrogen and air in the limited space of combustion chamber, a drop in the engine's maximum output should be accepted. Hyundai Motor Company also previously developed an engine using hydrogen fuel, but was unable to progress to mass production. Since then, hybrid technology has become popular, and with the development of hydrogen injection devices, an era has arrived where the possibility of mass production can be increased. and for this reason, various studies on internal combustion engines using hydrogen fuel based on existing SI engines or CI engines are rapidly increasing recently. In this study, a hydrogen fuel engine was designed and manufactured based on the mass produced gasoline spark ignition engine. CO2 level was confirmed from initial performance evaluation, and it is found that raw NOx levels and maximum power were in a trade-off relationship with each other under same air-charging system application. In addition, the method to improve maximum engine torque was verified while maintaining the raw NOx level, and the maximum engine power improvement level was confirmed when raw NOx emissions were allowed to increase. Thereby it was shown that the potential of the carbon-neutral internal combustion engine.
由于减少温室气体和实现碳中和的目标,二氧化碳法规变得非常严格。电动汽车已经成为代替传统内燃机汽车的环保动力系统,其市场占有率正在增加。然而,即使使用内燃机,如果使用氢等无碳燃料,二氧化碳也可以大幅减少。通过超稀薄燃烧操作,可以将NOx的原始排放克服到一定程度,但为了平衡燃烧室有限空间内氢气和空气的数量,应该接受发动机最大输出的下降。现代汽车也曾开发过氢燃料发动机,但未能大规模生产。从那时起,混合动力技术开始流行,随着氢注入装置的发展,大规模生产可能性增加的时代已经到来。因此,最近在现有SI发动机或CI发动机的基础上,对氢燃料内燃机的各种研究正在迅速增加。在量产汽油火花点火发动机的基础上,设计制造了氢燃料发动机。从初始性能评估中确定了CO2水平,发现在相同的充气系统应用下,原始NOx水平和最大功率之间存在权衡关系。此外,验证了在保持NOx原始排放水平的情况下提高发动机最大扭矩的方法,以及在允许NOx原始排放增加的情况下,确定了发动机最大功率提高水平。由此可见,碳中性内燃机的潜力。
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引用次数: 0
Impact of Solution Chemistry on the Biotechnological Synthesis and Properties of Palladium Nanoparticles 溶液化学对钯纳米颗粒生物技术合成及性能的影响
IF 2.3 4区 化学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2023-01-01 DOI: 10.1595/205651323x16813753335431
Christopher Egan-Morriss, R. Kimber, N. A. Powell, J. Lloyd
The biosynthesis of Pd nanoparticles supported on microbial cells (bio-Pd) has attracted much recent interest, but the effect of solution chemistry on the process remains poorly understood. Biological buffers can be used to maintain physiological pH during the bioreduction of Pd(II) to Pd(0) by microbial cells, however, buffer components have the potential to complex Pd(II), and this may affect the subsequent microbe-metal interaction. In this study, a range of Pd(II) salts and biological buffers were selected to assess the impact of the solution chemistry on the rate of bioreduction of Pd(II) by Geobacter sulfurreducens, and the resulting biogenic Pd nanoparticles. The different buffer and Pd(II) combinations resulted in changes in the dominant Pd(II) species in solution, and this affected the amount of Pd recovered from solution by the microbial cells. The physical properties of the bio-Pd nanoparticles were altered under different solution chemistries; only slight variations were observed in the mean particle size (< 6 nm), but significant variations in particle agglomeration, the extent of Pd(II) bioreduction, and subsequent catalytic activity for the reduction of 4-nitrophenol were observed. The combination of sodium tetrachloropalladate and bicarbonate buffer resulted in bio-Pd with the smallest mean particle size, and the fastest initial rate of reaction for 4-NP reduction (0.33 min-1). Other solution chemistries appeared to damage the cells and result in bio-Pd with relatively poor catalytic performance. This work emphasises that future studies into bio-Pd synthesis should consider the importance of solution chemistry in controlling the speciation of Pd(II) and its impact on both the bioreduction process and the resulting properties of the nanoparticles produced, in order to maximize Pd(II) biorecovery and optimize catalytic properties.
微生物细胞支持的钯纳米颗粒的生物合成引起了人们的广泛关注,但溶液化学对这一过程的影响仍然知之甚少。在微生物细胞将Pd(II)生物还原为Pd(0)的过程中,生物缓冲液可用于维持生理pH值,然而,缓冲液成分有可能使Pd(II)复杂化,这可能会影响随后的微生物-金属相互作用。在这项研究中,选择了一系列Pd(II)盐和生物缓冲液来评估溶液化学对硫还原地球杆菌生物还原Pd(II)速率的影响,以及由此产生的生物源Pd纳米颗粒。不同的缓冲液和Pd(II)组合导致溶液中Pd(II)优势种的变化,从而影响微生物细胞从溶液中回收Pd的量。在不同的溶液化学条件下,生物钯纳米粒子的物理性质发生了变化;平均粒径(< 6 nm)变化不大,但颗粒团聚、Pd(II)生物还原程度以及随后对4-硝基苯酚还原的催化活性变化显著。四氯alladate钠和碳酸氢盐缓冲液的组合使bio-Pd具有最小的平均粒径和最快的4-NP还原初始反应速率(0.33 min-1)。其他溶液化学物质似乎会损害细胞,导致催化性能相对较差的生物钯。这项工作强调,未来的生物Pd合成研究应考虑溶液化学在控制Pd(II)形态及其对生物还原过程和所产生纳米颗粒性能的影响方面的重要性,以最大限度地提高Pd(II)的生物回收率和优化催化性能。
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引用次数: 0
Long-term Evaluation of Culturable Fungi in a Natural Aging Biofilm on Galvanized Steel Surface 镀锌钢表面自然老化生物膜中可培养真菌的长期评价
IF 2.3 4区 化学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2023-01-01 DOI: 10.1595/205651323x16748145957998
D. Kadaifçiler, T. Unsal, E. Ilhan‐Sungur
Fungi commonly found in municipal water can participate in the natural biofilm formation on the surfaces of galvanized steel despite the toxic effect of Zn, and also depending on the age of the biofilm, fungal diversity may vary. To examine this hypothesis, natural biofilm formation was allowed on galvanized steel surfaces over 6 months in a model recirculating water system. Fungal colonies with different morphologies were obtained monthly from biofilm and water samples and then identified by both morphological and molecular approaches. In addition, the biofilm layer was examined by electrochemistry impedance spectroscopy (EIS) analyses and scanning electron microscopy. It was determined that the fungi were included in the natural aging biofilm formed on the galvanized steel surfaces over the experiment. The diversity and the number of fungi in the biofilm and water changed over the experiment. All of the fungi isolated from the biofilm and water were found to be members of the Ascomycota phylum. F. oxysporum was the first fungus to be involved in the biofilm formation process and also it is one of the main inhabitants of the biofilm together with Penicillium spp. In addition, EIS data showed that the structure of the biofilm changed as it ages. The results of this study may lead to a better understanding of natural aging biofilms involving fungi in municipal water systems, as well as the development of new strategies for effective disinfection of fungi based on biofilm age.
尽管锌具有毒性作用,但市政用水中常见的真菌可以参与镀锌钢表面天然生物膜的形成,并且根据生物膜的年龄,真菌的多样性可能会有所不同。为了验证这一假设,在模型循环水系统中,允许在镀锌钢表面形成天然生物膜超过6个月。每月从生物膜和水样中获得不同形态的真菌菌落,然后通过形态学和分子方法进行鉴定。此外,采用电化学阻抗谱(EIS)和扫描电镜对生物膜层进行了检测。经实验确定,这些真菌包含在镀锌钢表面形成的自然老化生物膜中。生物膜和水中真菌的多样性和数量在实验过程中发生了变化。所有从生物膜和水中分离的真菌都属于子囊菌门。F. oxysporum是最早参与生物膜形成过程的真菌,与青霉属(Penicillium spp)一起是生物膜的主要居民。此外,EIS数据显示,随着生物膜的老化,生物膜的结构发生了变化。本研究结果可能有助于更好地了解城市供水系统中涉及真菌的自然老化生物膜,以及基于生物膜年龄的真菌有效消毒新策略的开发。
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引用次数: 0
Challenges and Opportunities for Platinum in the Modern Three-Way Catalyst 铂在现代三元催化剂中的挑战与机遇
IF 2.3 4区 化学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2023-01-01 DOI: 10.1595/205651323x16759335257118
M. Vlachou, H. R. Marchbank, E. Brooke, A. Kolpin
Gasoline vehicles have generally relied upon a combination of palladium and rhodium for more than 25 years to facilitate the required oxidative and reductive reactions of CO, HCs, and NOx. Recently, steady increases in the price of palladium relative to platinum have fuelled demand to reincorporate platinum into TWCs. However, the fundamental properties of platinum, including susceptibility toward sintering and inhibition under typical gasoline operating conditions, present significant challenges. This article presents an overview of the origins for these challenges, as well as select strategies for maximizing platinum’s contribution to modern-day TWCs. Optimisation of ceria-zirconia supports is one route by which platinum’s performance can be significantly improved through tuning of the ceria:zirconia ratio. Additionally, alloying platinum with a secondary PGM, e.g. rhodium, leverages complimentary properties of both metals, imparting stability and overall activity enhancements. Such routes not only enable PGM flexibility, but also provide opportunities to further improve TWC performance.
汽油车通常依赖钯和铑的组合超过25年,以促进所需的CO, hc和NOx的氧化和还原反应。最近,钯相对于铂金的价格稳步上涨,推动了将铂金重新纳入twc的需求。然而,铂的基本性质,包括在典型汽油操作条件下的烧结敏感性和抑制性,提出了重大挑战。本文概述了这些挑战的起源,以及最大化铂对现代twc的贡献的选择策略。优化二氧化铈支撑是通过调整二氧化铈比来显著改善铂性能的一种途径。此外,将铂与次级PGM(例如铑)合金化,利用两种金属的互补特性,赋予稳定性和整体活性增强。这些路线不仅使PGM具有灵活性,而且为进一步提高TWC性能提供了机会。
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引用次数: 2
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Johnson Matthey Technology Review
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