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Progress in multiscale research on calcium-looping for thermochemical energy storage: From materials to systems 用于热化学储能的钙循环多尺度研究进展:从材料到系统
IF 32 1区 工程技术 Q1 ENERGY & FUELS Pub Date : 2024-10-10 DOI: 10.1016/j.pecs.2024.101194
Xikun Tian, Sijia Guo, Xiaojun Lv, Shangchao Lin, Chang-Ying Zhao
Thermochemical energy storage (TCES) based on calcium-looping (CaL) has great potential to mitigate the intermittency and instability problems of solar energy harvesting, especially for high-temperature solar thermal utilization. The CaCO3/CaO TCES system has been the focus of intense research over the past few decades for its advantages of high energy storage density, natural abundance of raw materials, low cost, and environmentally benign nature, simultaneously. Although some properties of the CaCO3/CaO TCES system have been concluded, few of them consider the relationships between structures and performances at multiple time and length scales. Herein, we summarize the multiscale developments of the CaCO3/CaO-based TCES systematically, including atomic-scale mechanisms, reaction thermodynamics, cyclic stabilities, energy storage/release properties in reactors, operations, and efficiency optimizations at a system level. This review aims to broaden research interests in multiscale structure-function relationships in the field of TCES and provide constructive references for exploring advanced methods and mature technologies for material development, reactor upgradation, and system optimization. Finally, it will promote the large-scale industrial applications of calcium-looping for thermochemical energy storage.
基于钙循环(CaL)的热化学储能(TCES)在缓解太阳能收集的间歇性和不稳定性问题方面具有巨大潜力,尤其是在高温太阳能热利用方面。CaCO3/CaO TCES 系统同时具有储能密度高、原材料天然丰富、成本低廉和对环境无害等优点,因此在过去几十年中一直是研究的热点。虽然人们已经总结了 CaCO3/CaO TCES 系统的一些特性,但很少有研究考虑到在多个时间和长度尺度上结构与性能之间的关系。在此,我们系统地总结了基于 CaCO3/CaO 的 TCES 的多尺度发展,包括原子尺度机理、反应热力学、循环稳定性、反应器中的能量存储/释放特性、操作以及系统级的效率优化。本综述旨在拓宽 TCES 领域对多尺度结构-功能关系的研究兴趣,并为探索材料开发、反应堆升级和系统优化的先进方法和成熟技术提供建设性参考。最后,它将促进钙环热化学储能的大规模工业应用。
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引用次数: 0
Flame stabilization and emission characteristics of ammonia combustion in lab-scale gas turbine combustors: Recent progress and prospects 实验室规模燃气轮机燃烧器中氨燃烧的火焰稳定和排放特性:最新进展和前景
IF 32 1区 工程技术 Q1 ENERGY & FUELS Pub Date : 2024-10-07 DOI: 10.1016/j.pecs.2024.101193
Meng Zhang , Xutao Wei , Zhenhua An , Ekenechukwu C. Okafor , Thibault F. Guiberti , Jinhua Wang , Zuohua Huang
Global climate change forces all countries to push the process of de-carbonization. Ammonia, which is carbon free and a potential hydrogen carrier, is proposed as a prospective fuel for the power devices to realize the green economy. It also exhibits very good fuel properties, including its storage condition, energy density. However, two main challenges, the difficulties of flame stabilization and potential high fuel NOx production, still need to be tackled in its application in gas turbines. In the last decades, valuable investigations were conducted to address characteristics of NH3/air flame stabilization in swirl combustors as well as the combustion enhancement by cofiring with active molecule like CH4 and H2, applying plasma assistance. These measures mainly improve the flame resistance to the flow and increase the key radicals at flame base, which may provide possible solutions to the combustion chamber design. The inherent mechanisms of fuel NOx production are highlighted by the HNO channel with the presence of OH radical. One promising strategy to mitigate NOx in gas-turbine like combustor is the staged combustion by staging the air or fuel, which may also fit for the practical combustion chamber. The high-pressure condition and plasma assistance were found to show positive influence on both flame stabilization and NOx control. This review also emphasizes the fundamental research issues for ammonia fuel and proposes some future research prospects towards the development of more robust, reliable, and low NOx combustion technologies relevant to gas turbines.
全球气候变化迫使所有国家推进去碳化进程。氨不含碳,是一种潜在的氢载体,被建议作为动力设备的未来燃料,以实现绿色经济。氨是一种无碳的潜在氢载体,被认为是实现绿色经济的动力设备的前瞻性燃料,它还表现出非常好的燃料特性,包括储存条件和能量密度。然而,在燃气轮机中应用这种燃料仍需解决两个主要挑战,即火焰稳定困难和燃料可能产生较高的氮氧化物。在过去几十年中,针对漩涡燃烧器中 NH3/空气火焰稳定的特性以及通过与 CH4 和 H2 等活性分子共燃、应用等离子体辅助来增强燃烧的问题进行了大量研究。这些措施主要是改善火焰的流动阻力,增加火焰底部的关键自由基,从而为燃烧室设计提供可能的解决方案。燃料产生氮氧化物的内在机制突出表现为 HNO 通道和 OH 自由基的存在。在类似燃气轮机的燃烧器中,缓解氮氧化物的一种有前途的策略是通过对空气或燃料进行分段燃烧,这也可能适用于实际的燃烧室。研究发现,高压条件和等离子体辅助对火焰稳定和氮氧化物控制都有积极影响。本综述还强调了氨燃料的基础研究问题,并提出了一些未来的研究前景,以开发与燃气轮机相关的更稳健、可靠和低氮氧化物燃烧技术。
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引用次数: 0
A comprehensive review of liquid fuel droplet evaporation and combustion behavior with carbon-based nanoparticles 液体燃料液滴蒸发和碳基纳米颗粒燃烧行为综述
IF 32 1区 工程技术 Q1 ENERGY & FUELS Pub Date : 2024-09-27 DOI: 10.1016/j.pecs.2024.101198
A S M Sazzad Parveg, Albert Ratner
Nanofuels (NFs) are an innovative fuel category where nano-scale metal or carbon-based particles are suspended within liquid fuel (LF) to enhance performance, combustion efficiency, and emission characteristics of internal combustion devices while preserving the base fuel properties. Carbon-nanoparticle-based nanofuels (CNFs) have recently attracted attention for their potential to significantly enhance combustion performance and reduce emissions. CNFs offer advantages such as lower toxicity, a reduced environmental footprint, and cost-effectiveness compared to metal-based alternatives. Carbon nanoparticles exhibit potential in enhancing liquid fuel combustion characteristics, particularly when used at low particle concentrations (≤0.30 % w/w), which is likely to be optimal for improving the burning rate. This enhancement can be attributed to their superior heat absorption and transfer properties, improved atomization mechanisms, and impact on combustion kinetics. This review investigates the potential of CNFs and examines the mechanisms by which they alter combustion and evaporation characteristics. Empirical evidence indicates that the increased evaporation and burning rates of CNFs are primarily due to improved radiation capture and heat transfer. The behavior of ignition is closely related to the aggregation and distribution of nanoparticles within CNF droplets, which affects fuel evaporation dynamics. Additionally, increased micro-explosion intensity and generally reduced micro-explosion frequency are observed during CNF droplet combustion. Factors such as particle size, concentration, morphology, and thermo-physical properties play crucial roles in influencing changes in evaporation rate, burning rate, ignition delay, burning period, and micro-explosion characteristics. Studies conducted at droplet, spray, and engine scales consistently support the positive effects of CNFs observed at the droplet scale. These improvements lead to enhanced combustion parameters, better engine performance and a significant reduction in harmful emissions. However, concerns remain about the potential presence of nanoparticles in exhaust emissions and their implications for the environment and human health. This review offers a comprehensive analysis of CNFs, providing insights into their potential applications and identifying areas that require further research.
纳米燃料(NFs)是一种创新燃料,在这种燃料中,纳米级金属或碳基颗粒悬浮在液体燃料(LF)中,以提高内燃设备的性能、燃烧效率和排放特性,同时保留基本燃料的特性。基于碳纳米颗粒的纳米燃料(CNFs)最近因其显著提高燃烧性能和减少排放的潜力而备受关注。与金属基替代品相比,CNF 具有毒性低、对环境影响小和成本效益高等优点。碳纳米颗粒在提高液体燃料燃烧特性方面表现出潜力,尤其是在颗粒浓度较低(≤0.30% w/w)的情况下,这可能是提高燃烧速率的最佳选择。这种提高可归因于其卓越的吸热和传热特性、改进的雾化机制以及对燃烧动力学的影响。本综述研究了 CNFs 的潜力,并探讨了 CNFs 改变燃烧和蒸发特性的机制。经验证据表明,CNFs 蒸发率和燃烧率的提高主要是由于辐射捕获和热传递的改善。点火行为与 CNF 液滴内纳米颗粒的聚集和分布密切相关,这影响了燃料的蒸发动力学。此外,在 CNF 液滴燃烧过程中还观察到微爆强度增加,微爆频率普遍降低。颗粒大小、浓度、形态和热物理性质等因素对蒸发率、燃烧率、点火延迟、燃烧周期和微爆特性的变化起着至关重要的影响作用。在液滴、喷雾和发动机尺度上进行的研究一致支持在液滴尺度上观察到的 CNFs 的积极影响。这些改进提高了燃烧参数,改善了发动机性能,并显著减少了有害气体的排放。然而,人们仍对废气排放中可能存在的纳米颗粒及其对环境和人类健康的影响表示担忧。本综述对 CNFs 进行了全面分析,深入探讨了 CNFs 的潜在应用,并确定了需要进一步研究的领域。
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引用次数: 0
Review and assessment of the ammonium perchlorate chemistry in AP/HTPB composite propellant gas-phase chemical kinetics mechanisms 回顾和评估 AP/HTPB 复合推进剂气相化学动力学机制中的高氯酸铵化学性质
IF 32 1区 工程技术 Q1 ENERGY & FUELS Pub Date : 2024-09-23 DOI: 10.1016/j.pecs.2024.101195
Claire M. Grégoire , Olivier Mathieu , Joseph Kalman , Eric L. Petersen
<div><div>Physical and chemical processes of ammonium perchlorate and hydroxyl-terminated polybutadiene (AP/HTPB) composite propellant combustion have been studied for several decades, and more than 50 years of model development can be reported. Computational methods focus on the heterogeneous aspects—the solid-phase and its decomposition—whereas AP self-deflagration and burning characteristics should be seen as a multi-step, physiochemical process. There has been a lack of systematic studies on the gas-phase chemical kinetics mechanisms for AP combustion, with emphasis on the starting gas-phase species NH<sub>3</sub> and HClO<sub>4</sub>. Only three recent detailed gas-phase mechanisms with sufficient detail in terms of the number of chemical reactions and number of species are currently available in the literature prior to 2023, and simulations are carried out within the present review to assess the state of their current performance and to highlight potential knowledge gaps that should be filled. Given the importance and prevalence of AP in modern propellants, it is surprising that the chemical kinetics of AP combustion are very much understudied. The authors highlight the fact that the few existing AP mechanisms have never been fully vetted against an applicable database of experimental results, certainly not in the manner that mechanisms are typically validated within the combustion science community for fuels such as hydrogen and various hydrocarbons. This review does not put forward such a mechanism, but rather 1) brings to light the limitations of current AP kinetics mechanisms in predicting some limited, available kinetics data, and 2) underlines the need for additional, fundamental data that can be used to calibrate an AP kinetics model. A limited gas-phase experimental database was identified from currently available sources for two main compound families: ammonia (NH<sub>3</sub>) and perchloric acid (HClO<sub>4</sub>). The decomposition of AP is initiated by NH<sub>4</sub>ClO<sub>4</sub> → NH<sub>3</sub> + HClO<sub>4</sub> and leads to these two rather complex molecules that differ strongly in their nature and consequently in their reaction schemes for combustion processes. On the one hand, existing measurements of ignition delay times, laminar flame speeds, and speciation were collected for NH<sub>3</sub>, N<sub>2</sub>O, and NO<sub>2</sub>, and on the other hand, a similar albeit much smaller body of experimental results was assembled for HClO<sub>4</sub>, ClO<sub>2</sub>, and Cl<sub>2</sub>. These global kinetics data were used to evaluate modern AP/HTPB propellant models. We observe that there is much room for improvement regarding models' performance. Significant improvements in our ability to model the gas-phase chemical kinetics of AP combustion can be made by taking advantage of recent developments in ammonia oxidation chemistry modeling. However, additional, fundamental data are needed before similar strengthening of the perc
对高氯酸铵和羟基封端聚丁二烯(AP/HTPB)复合推进剂燃烧的物理和化学过程的研究已有几十年的历史,可报告的模型开发已有 50 多年的历史。计算方法侧重于异质方面--固相及其分解,而 AP 的自燃和燃烧特性应被视为一个多步骤的物理化学过程。目前还缺乏对 AP 燃烧气相化学动力学机制的系统研究,重点是起始气相物种 NH3 和 HClO4。在 2023 年之前的文献中,目前仅有三篇最新的详细气相机制研究,在化学反应数量和物种数量方面都足够详细,本综述对其进行了模拟,以评估其目前的性能状况,并强调应填补的潜在知识空白。鉴于 AP 在现代推进剂中的重要性和普遍性,令人惊讶的是 AP 燃烧的化学动力学研究却非常不足。作者强调了一个事实,即现有的少数 AP 机制从未根据适用的实验结果数据库进行过全面审查,当然也没有像燃烧科学界通常对氢气和各种碳氢化合物等燃料的机制进行验证的方式。这篇综述并没有提出这样的机制,而是:1)揭示了当前 AP 动力学机制在预测一些有限的、可用的动力学数据方面的局限性;2)强调了需要更多可用于校准 AP 动力学模型的基础数据。从目前可获得的资料中,我们确定了两个主要化合物系列的有限气相实验数据库:氨(NH3)和高氯酸(HClO4)。AP 的分解是由 NH4ClO4 → NH3 + HClO4 开始的,这两种相当复杂的分子在性质上有很大不同,因此在燃烧过程中的反应方案也不同。一方面,我们收集了 NH3、N2O 和 NO2 的点火延迟时间、层流火焰速度和标样的现有测量数据;另一方面,我们还收集了 HClO4、ClO2 和 Cl2 的类似实验结果,尽管数量要少得多。这些总体动力学数据被用来评估现代 AP/HTPB 推进剂模型。我们发现,模型的性能还有很大的改进空间。通过利用氨氧化化学建模的最新进展,我们可以显著提高 AP 燃烧气相化学动力学建模的能力。然而,在对与高氯酸盐有关的化学动力学以及涉及 N 和 Cl 物种的跨系统反应进行类似的强化之前,还需要更多的基础数据。
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引用次数: 0
Ammonia pyrolysis and oxidation chemistry 氨热解和氧化化学
IF 32 1区 工程技术 Q1 ENERGY & FUELS Pub Date : 2024-08-23 DOI: 10.1016/j.pecs.2024.101177
Manuel Monge-Palacios , Xiaoyuan Zhang , Natalia Morlanes , Hisashi Nakamura , Giuseppe Pezzella , S. Mani Sarathy

Ammonia has been essential to human activities for centuries. It is widely used as feedstock for fertilizers, industrial chemicals, and emission after-treatment systems. Owing to its properties, ammonia has garnered interest as a carrier for hydrogen in energy applications. It can be generated from carbon-free emission sources and pyrolyzed to produce pure hydrogen for various applications. The combustion of ammonia for power generation has been previously reviewed in this journal besides several aspects of ammonia oxidation chemistry, as it relates to emission after-treatment and reburn systems. However, the pyrolysis and oxidation chemistry of ammonia requires further elucidation to improve its use as a hydrogen carrier and as a fuel for combustion systems. This article provides an in-depth review of ammonia pyrolysis and oxidation chemistry in noncatalytic and catalytic systems. The catalytic pyrolysis chemistry of ammonia to produce pure hydrogen is reviewed to understand catalyst and reactor requirements for scaling up this technology. The combustion properties of ammonia as a pure fuel and in mixtures, including ignition, flame propagation, and extinction characteristics; its pyrolysis and oxidation reactions; and its potential to produce pollutant emissions are extensively reviewed. Ammonia combustion reaction mechanisms are reported based on results from pyrolysis and oxidation reactors, shock tubes, rapid compression machines, and research engines. The experimental work is complemented by the development of detailed combustion models via chemical kinetic and quantum chemistry simulations. Herein, recent results on ammonia pyrolysis and oxidation chemistry are introduced and summarized by highlighting the pertinent aspects of this rich and rapidly increasing body of information.

几个世纪以来,氨一直是人类活动的必需品。它被广泛用作化肥、工业化学品和排放后处理系统的原料。由于其特性,氨在能源应用中作为氢的载体引起了人们的兴趣。氨可从无碳排放源产生,并通过热解产生纯氢,可用于各种应用。除了氨氧化化学的几个方面外,本期刊还对氨燃烧发电进行了综述,因为这与排放后处理和回燃系统有关。然而,氨的热解和氧化化学需要进一步阐明,以改善其作为氢载体和燃烧系统燃料的用途。本文深入评述了非催化和催化系统中的氨热解和氧化化学反应。文章回顾了氨催化热解产生纯氢的化学过程,以了解扩大该技术规模所需的催化剂和反应器。还广泛综述了氨作为纯燃料和混合物的燃烧特性,包括点火、火焰传播和熄灭特性;氨的热解和氧化反应;以及氨产生污染物排放的潜力。根据热解和氧化反应器、冲击管、快速压缩机和研究发动机的结果,报告了氨的燃烧反应机理。通过化学动力学和量子化学模拟建立的详细燃烧模型对实验工作进行了补充。本文介绍并总结了氨热解和氧化化学方面的最新成果,着重强调了这些丰富且快速增长的信息的相关方面。
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引用次数: 0
The potential of RuBisCO in CO2 capture and utilization RuBisCO 在二氧化碳捕获和利用方面的潜力
IF 32 1区 工程技术 Q1 ENERGY & FUELS Pub Date : 2024-08-12 DOI: 10.1016/j.pecs.2024.101184
Kamyll Dawn Cocon , Patricia Luis

Carbon capture technology is currently considered one of the promising technologies to mitigate atmospheric CO2 concentration. CO2 capture and utilization (CCU) captures anthropogenic waste CO2 and valorizes it into useful products, supporting a circular transition pathway towards carbon neutrality. Unfortunately, the thermodynamic stability of CO2 requires a high-energy input for its conversion, resulting in processes with a net positive carbon footprint. The incorporation of enzymes as biocatalysts in a process is attractive, as it facilitates CO2 conversion under ambient conditions. In Nature, the conversion of CO2 into organic compounds is done through photosynthesis, using an enzyme called ribulose-1,5-biphosphate carboxylase/oxygenase (RuBisCO). RuBisCO plays a central role in the natural assimilation of CO2, making it the enzyme chosen in Nature upon which all life forms depend. However, the slow carboxylation rate of RuBisCO (1–10/s) has caused it to be overlooked by faster enzymes such as carbonic anhydrase (CA), which has a carboxylation rate of 106/s. Despite this, RuBisCO has a rate enhancement of 108 to 1010 times higher than CA. Thus, this review aims to take a closer look at RuBisCO and examine its potential in CCU. Various aspects are considered, such as RuBisCO’s performance in comparison to other enzymes, approaches to overcome its limitations, its applications and implications in CCU, the valuable chemicals that can be derived from it, recent developments in RuBisCO-integrated processes, and its economic and environmental considerations. Through this, RuBisCO’s potential as one of the key enzymes in CCU will be explored.

碳捕集技术目前被认为是减缓大气二氧化碳浓度的有前途的技术之一。二氧化碳捕集与利用(CCU)可以捕集人为产生的废弃二氧化碳,并将其转化为有用的产品,从而为实现碳中和的循环过渡途径提供支持。遗憾的是,二氧化碳的热力学稳定性要求在转化过程中输入高能量,从而导致过程产生净正碳足迹。在工艺中加入酶作为生物催化剂具有吸引力,因为这有利于在环境条件下进行二氧化碳转化。在自然界中,二氧化碳转化为有机化合物是通过光合作用进行的,使用的酶称为核酮糖-1,5-二磷酸羧化酶/氧化酶(RuBisCO)。RuBisCO 在二氧化碳的自然同化过程中发挥着核心作用,因此被自然界选为所有生命形式赖以生存的酶。然而,由于 RuBisCO 的羧化速度较慢(1-10/s),它被碳酸酐酶(CA)等羧化速度较快的酶所忽视,而碳酸酐酶的羧化速度为 106/s。尽管如此,RuBisCO 的速率增强仍比 CA 高 108 到 1010 倍。因此,本综述旨在更深入地了解 RuBisCO 并研究其在 CCU 中的潜力。本综述考虑了各个方面,如 RuBisCO 与其他酶相比的性能、克服其局限性的方法、其在 CCU 中的应用和影响、可从中提取的有价值化学品、RuBisCO 集成工艺的最新发展,以及其经济和环境考虑因素。通过这些,将探索 RuBisCO 作为 CCU 关键酶之一的潜力。
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引用次数: 0
Multifunctional fluidized bed reactors for process intensification 用于强化工艺的多功能流化床反应器
IF 32 1区 工程技术 Q1 ENERGY & FUELS Pub Date : 2024-07-26 DOI: 10.1016/j.pecs.2024.101176
D. Zapater , S.R. Kulkarni , F. Wery , M. Cui , J. Herguido , M. Menendez , G.J. Heynderickx , K.M. Van Geem , J. Gascon , P. Castaño

Fluidized bed reactors (FBRs) are crucial in the chemical industry, serving essential roles in gasoline production, manufacturing materials, and waste treatment. However, traditional up-flow FBRs have limitations in applications where rapid kinetics, catalyst deactivation, sluggish mass/heat transfer processes, particle erosion or agglomeration (clustering) occur. This review investigates multifunctional FBRs that can function in multiple ways and intensify processes. These reactors can reduce reaction steps and costs, enhance heat and mass transfer, make processes more compact, couple different phenomena, improve energy efficiency, operate in extreme fluidized regimes, have augmented throughput, or solve problems inherited by traditional reactor configurations. They address constraints associated with conventional counterparts and contribute to favorable energy, fuels, and environmental footprints. These reactors can be classified as two-zone, vortex, and internal circulating FBRs, with each concept summarized, including their advantages, disadvantages, process applicability, intensification, visualization, and simulation work. This discussion also includes shared considerations for these reactor types, along with perspectives on future advancements and opportunities for enhancing their performance.

流化床反应器(FBR)在化学工业中至关重要,在汽油生产、材料制造和废物处理中发挥着重要作用。然而,传统的上流式流化床反应器在快速动力学、催化剂失活、传质/传热过程缓慢、颗粒侵蚀或聚集(团聚)等应用中存在局限性。本综述探讨了可通过多种方式发挥作用并强化工艺的多功能 FBR。这些反应器可以减少反应步骤和成本,加强传热和传质,使工艺流程更加紧凑,将不同的现象结合起来,提高能效,在极端流化条件下运行,提高吞吐量,或解决传统反应器配置遗留的问题。它们解决了与传统反应器相关的制约因素,并有助于减少能源、燃料和环境足迹。这些反应器可分为双区、涡流和内循环 FBR,并对每种概念进行了总结,包括其优缺点、工艺适用性、强化、可视化和模拟工作。讨论还包括这些反应器类型的共同考虑因素,以及对未来进步的展望和提高其性能的机会。
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引用次数: 0
Advances and challenges of the Conditional Source-term Estimation model for turbulent reacting flows 湍流反应流条件源项估计模型的进展与挑战
IF 32 1区 工程技术 Q1 ENERGY & FUELS Pub Date : 2024-07-10 DOI: 10.1016/j.pecs.2024.101172
M. Mahdi Salehi , Cecile Devaud , W. Kendal Bushe

Conditional Source-term Estimation (CSE) is a turbulence–chemistry interaction model to simulate reacting flows. This model is similar to the Conditional Moment Closure (CMC) approach in using the conditional scalar field to calculate the conditional reaction rates. However, unlike CMC, where transport equations are solved for the conditional scalars, an integral equation is inverted in CSE to estimate the conditional scalars. The model has been developed and applied to a wide range of combustion regimes, including diffusion, premixed, stratified premixed, mixed-mode combustion in lifted flames, spray combustion and MILD combustion in the past two decades. It has been tested against several Direct Numerical Simulation (DNS) databases in a priori analyses and also coupled with both Large-Eddy Simulation (LES) and Reynolds-Averaged Navier–Stokes (RANS) flow solvers to simulate benchmark burners. The CSE model has also been used in the simulation of practical combustion devices such as internal combustion engines and industrial furnaces. In this paper, the fundamental basis of the CSE model is first presented, and the model’s limitations and strengths are described. The challenges of the application of CSE to different combustion regimes are discussed through a comprehensive review of the past published works. Mathematical and numerical implementation techniques are presented, and future challenges in developing this turbulence–chemistry interaction model are also proposed.

条件源项估计(CSE)是一种模拟反应流的湍流-化学相互作用模型。该模型类似于条件矩闭合(CMC)方法,使用条件标量场来计算条件反应速率。不过,与 CMC 不同的是,CSE 是通过求解传输方程来计算条件标量,而 CSE 则是通过反演积分方程来估算条件标量。在过去二十年中,该模型已被开发并应用于多种燃烧机制,包括扩散、预混合、分层预混合、升腾火焰中的混合模式燃烧、喷雾燃烧和 MILD 燃烧。该模型在先验分析中与多个直接数值模拟(DNS)数据库进行了测试,并与大型埃迪模拟(LES)和雷诺平均纳维-斯托克斯(RANS)流动求解器相结合,模拟了基准燃烧器。CSE 模型还被用于模拟内燃机和工业炉等实际燃烧设备。本文首先介绍了 CSE 模型的基本原理,并阐述了该模型的局限性和优势。通过全面回顾过去发表的作品,讨论了将 CSE 应用于不同燃烧状态所面临的挑战。此外,还介绍了数学和数值实施技术,并提出了开发这一湍流-化学相互作用模型的未来挑战。
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引用次数: 0
Structure-performance relationships in MOF-derived electrocatalysts for CO2 reduction 源自 MOF 的二氧化碳还原电催化剂的结构-性能关系
IF 32 1区 工程技术 Q1 ENERGY & FUELS Pub Date : 2024-07-08 DOI: 10.1016/j.pecs.2024.101175
Ziman Chen , Yuman Guo , Lin Han , Jian Zhang , Yi Liu , Jan Baeyens , Yongqin Lv

Metal-organic frameworks (MOFs) hold great potential as electrocatalysts for the reduction of carbon dioxide (CO2), due to their highly tunable and porous structures. However, unlocking their full potential necessitates a comprehensive understanding of structure-performance relationships to guide rational design. This review provides a meticulous analysis of MOF electrocatalysts for electrocatalytic CO2 reduction (ECR), emphasizing correlations between composition, morphology, and catalytic performance. Key structure-function aspects are explored across various MOF-derived materials, encompassing the impact of metal identity, organic linker chemistry, porosity, defect concentration, and particle morphology. Physicochemical properties related to substrate adsorption and active site availability are linked to catalytic activities, product selectivities, energy efficiencies, and overpotentials. The review identifies several performance-limiting factors, including suboptimally tuned active sites and weak structure-selectivity linkages. However, the modular nature of MOFs presents opportunities to address these challenges through synthetic tuning. Future prospects, involving advanced characterization techniques, are also discussed. Finally, a separate section is devoted to the potential (industrial) valorization of the process. This critical review aims to distill guiding principles for design and optimization from existing trends, facilitating the development of MOF electrocatalysts capable of driving sustainable CO2 reduction at industrial scales. The realization of this promising technology holds the potential to provide renewable fuels and mitigate climate change through carbon capture and conversion utilizing intermittent renewable energy sources.

金属有机框架(MOFs)具有高度可调的多孔结构,因此作为还原二氧化碳(CO2)的电催化剂具有巨大潜力。然而,要充分挖掘其潜力,就必须全面了解结构-性能关系,以指导合理的设计。本综述对用于电催化二氧化碳还原 (ECR) 的 MOF 电催化剂进行了细致的分析,强调了组成、形态和催化性能之间的相关性。文章探讨了各种 MOF 衍生材料的关键结构-功能方面,包括金属特性、有机连接化学、孔隙率、缺陷浓度和颗粒形态的影响。与底物吸附和活性位点可用性相关的物理化学特性与催化活性、产物选择性、能效和过电位有关。综述指出了几个限制性能的因素,包括活性位点调整不理想和结构-选择性联系薄弱。不过,MOFs 的模块化特性为通过合成调整来应对这些挑战提供了机会。此外,还讨论了涉及先进表征技术的未来前景。最后,还专门用一个独立章节讨论了该工艺的潜在(工业)价值。本评论旨在从现有趋势中提炼出设计和优化的指导原则,从而促进能够在工业规模上推动可持续二氧化碳减排的 MOF 电催化剂的开发。这项前景广阔的技术有望通过利用间歇性可再生能源进行碳捕集与转化,提供可再生燃料并减缓气候变化。
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引用次数: 0
Premixed flame ignition: Theoretical development 预混合火焰点火:理论发展
IF 32 1区 工程技术 Q1 ENERGY & FUELS Pub Date : 2024-07-06 DOI: 10.1016/j.pecs.2024.101174
Dehai Yu , Zheng Chen

Premixed flame ignition is a fundamental issue in combustion. A basic understanding of this phenomenon is crucial for fire safety control and for the development of advanced combustion engines. Significant efforts have been devoted to understanding the mechanisms of ignition and determining critical ignition conditions, such as critical flame radius, minimum ignition energy, and minimum ignition power, which have remained challenging research topics for centuries. This review provides an in-depth investigation of the forced-ignition of laminar premixed flames in a quiescent flammable mixture, with emphasis on theoretical developments, particularly those based on activation energy analysis. First, the fundamental concepts are overviewed, including spark ignition, characteristic time scales, and critical ignition conditions. Then, the chronological development of premixed flame ignition theories is discussed, including homogeneous explosion, thermal ignition theory, flame ball theory, quasi-steady ignition theory, and, more importantly, transient ignition theory. Premixed flame ignition consists of three stages: flame kernel formation, flame kernel expansion, and transition to a self-sustaining flame. These stages are profoundly affected by the coupling of positive stretch with preferential diffusion, characterized by the Lewis number. Specifically, positive stretch makes the expanding ignition kernel weaker at larger Lewis numbers, consequently increasing the critical ignition radius and MIE. The premixed flame ignition process is dominated by flame propagation dynamics. Both quasi-steady and transient ignition theories demonstrate that the critical flame radius for premixed ignition differs from either flame thickness (by thermal ignition theory) or flame ball radius (by flame ball theory). Particularly, the transient ignition theory appropriately acknowledges the “memory effect” of external heating, offering the most accurate description of the evolution of the ignition kernel and the most sensible evaluation of minimum ignition energy. In addition, the effects of transport and chain-branching reactions of radicals, finite droplet vaporization, and repetitive heating pulses on premixed flame ignition are discussed. Finally, a summary of major advances is provided, along with comments on the applications of premixed flame ignition theory in ignition enhancement. Suggested directions for future research are presented.

预混合火焰点火是燃烧中的一个基本问题。对这一现象的基本了解对于火灾安全控制和先进内燃机的开发至关重要。数百年来,人们一直致力于了解点火机理和确定临界点火条件,如临界火焰半径、最小点火能量和最小点火功率,而这些问题一直是具有挑战性的研究课题。本综述深入探讨了静止可燃混合物中层流预混火焰的强制点火问题,重点关注理论发展,特别是基于活化能分析的理论发展。首先,概述了基本概念,包括火花点火、特征时间尺度和临界点火条件。然后,按时间顺序讨论了预混火焰点火理论的发展,包括均质爆炸、热点火理论、火焰球理论、准稳态点火理论,以及更重要的瞬态点火理论。预混合火焰点火包括三个阶段:焰芯形成、焰芯膨胀和过渡到自持火焰。这些阶段受到以路易斯数为特征的正拉伸与优先扩散耦合的深刻影响。具体来说,正拉伸会使膨胀的点火核在较大的路易斯数下变得较弱,从而增加临界点火半径和 MIE。预混合火焰的点火过程受火焰传播动力学的支配。准稳态点火理论和瞬态点火理论都证明,预混火焰点火的临界火焰半径不同于火焰厚度(热点火理论)或火焰球半径(火焰球理论)。特别是,瞬态点火理论恰当地承认了外部加热的 "记忆效应",对点火内核的演变提供了最准确的描述,并对最小点火能量进行了最合理的评估。此外,还讨论了自由基的传输和链支化反应、有限液滴汽化以及重复加热脉冲对预混合火焰点火的影响。最后,对主要研究进展进行了总结,并对预混火焰点火理论在点火增强中的应用进行了评论。还提出了未来研究的方向建议。
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引用次数: 0
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Progress in Energy and Combustion Science
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