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Study of the co-pyrolysis behavior and bio-oil characterization of walnut shell and polyethylene by thermogravimetric analyzer and bubbling fluidized bed 利用热重分析仪和鼓泡流化床研究核桃壳和聚乙烯的共热解行为和生物油特性
IF 5.6 2区 工程技术 Q2 ENERGY & FUELS Pub Date : 2024-08-30 DOI: 10.1016/j.joei.2024.101813
Yu Yang , Daiyang Long , Yican Jiang , Pingping Tang , Shengji Zhang , Hao Yu

In the present work, co-pyrolysis experiments of walnut shell (WS), polyethylene (PE) and their blends were performed in the thermogravimetric analyzer and lab-scale bubbling fluidized bed reactor, to clarify co-pyrolysis behaviors, synergy interactions and pyrolysis oil properties. Besides, the HZSM-5 zeolite was used as the catalyst and its catalytic characteristics were studied. Results indicated that as PE mass ratio rose from 0 to 100 %, the initial temperature monotonically increased from 265.4 to 417.3 °C, while its terminal temperature progressively decreased from 668.3 to 527.5 °C, suggesting that the addition of PE was able to accelerate the pyrolysis of samples. The co-pyrolysis of blends was distinguished into three stages, with a negative interaction observed in the first stage and positive interactions found in second and third stages. Besides, in the bubbling fluidized bed experiments, the liquid phase product yield first elevated and then reduced with rising temperature, and a high temperature promoted the degradation of oxygen-containing compounds and enhanced aromatics generation. The synergistic interaction in the co-pyrolysis of WS and PE declined the liquid phase product yield while elevating the gas phase product yield. On the other hand, blending with PE facilitated the generation of alkanes and olefins, while inhibiting the contents of oxygen-containing components and aromatics, and simultaneously, the heavy oil fraction was increased. Finally, the carbon deposited on the surface of catalysts was amorphous carbons, and could be removed by oxidation process, whereas its catalytic properties progressively declined with rising cycle number, leading to a downtrend of aromatics and olefins and an opposite trend for oxygen-containing components.

本研究在热重分析仪和实验室规模的鼓泡流化床反应器中进行了核桃壳(WS)、聚乙烯(PE)及其混合物的共热解实验,以阐明共热解行为、协同作用和热解油特性。此外,还使用 HZSM-5 沸石作为催化剂,研究了其催化特性。结果表明,随着聚乙烯质量比从 0% 上升到 100%,初始温度从 265.4 ℃单调上升到 417.3 ℃,而最终温度则从 668.3 ℃逐渐下降到 527.5 ℃,这表明聚乙烯的加入能够加速样品的热解。混合物的共热解分为三个阶段,第一阶段为负作用,第二和第三阶段为正作用。此外,在鼓泡流化床实验中,随着温度的升高,液相产物产率先升高后降低,高温促进了含氧化合物的降解,并增强了芳烃的生成。WS 和 PE 共热解过程中的协同作用降低了液相产物产率,同时提高了气相产物产率。另一方面,与 PE 的混合促进了烷烃和烯烃的生成,同时抑制了含氧成分和芳烃的含量,重油馏分也随之增加。最后,沉积在催化剂表面的碳为无定形碳,可通过氧化过程去除,但其催化性能随着循环次数的增加而逐渐下降,导致芳烃和烯烃含量呈下降趋势,而含氧组分则呈相反趋势。
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引用次数: 0
Sorption-enhanced ethanol steam reforming coupled with in-situ CO2 capture and conversion 吸附增强型乙醇蒸汽转化与原位二氧化碳捕获和转化相结合
IF 5.6 2区 工程技术 Q2 ENERGY & FUELS Pub Date : 2024-08-30 DOI: 10.1016/j.joei.2024.101808
Cui Quan , Shaoxuan Feng , Shibo Gao , Minhua Zhang , Chunfei Wu , Norbert Miskolczi

The impacts of climate change and the issue of greenhouse gas emissions have sparked research into renewable energy alternatives to fossil fuels. Hydrogen has gained attention as a clean, renewable and environmentally friendly energy source. Enhanced-ethanol steam reforming has been proposed as a promising method for blue hydrogen production, addressing greenhouse gas emission issues. The use of catalysts enhances the adsorption of ethanol and water molecules on the surface, promoting the reaction rate. This study systematically explored the effects of different Fe loading and CaO addition ratios on the ethanol steam reforming and CO2 conversion processes to optimize catalyst performance. The experimental results showed that Fe/SiC catalysts effectively promoted the conversion of ethanol and generated high-purity hydrogen, exhibiting excellent catalytic activity. Specifically, a catalyst with 10 % Fe loading and mixed with 0.3g CaO significantly increased the hydrogen yield to 64.4 mmol/g, which was 2.88 times higher than that without the catalyst.

气候变化的影响和温室气体排放问题引发了对化石燃料的可再生能源替代品的研究。氢气作为一种清洁、可再生和环保的能源受到了关注。有人提出,强化乙醇蒸汽转化是一种很有前途的蓝色制氢方法,可以解决温室气体排放问题。催化剂的使用可增强乙醇和水分子在催化剂表面的吸附,从而提高反应速率。本研究系统地探讨了不同 Fe 负载和 CaO 添加比对乙醇蒸汽转化和 CO2 转化过程的影响,以优化催化剂性能。实验结果表明,Fe/SiC 催化剂能有效促进乙醇转化并产生高纯度氢气,表现出优异的催化活性。具体而言,铁含量为 10% 并与 0.3g CaO 混合的催化剂可显著提高氢气产量,使其达到 64.4 mmol/g,是未添加催化剂时的 2.88 倍。
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引用次数: 0
Study on interaction mechanism of steam coupling biomass sludge gasification to syngas with pickling sludge as oxygen carrier 以酸洗污泥为氧载体的蒸汽耦合生物质污泥气化制合成气的相互作用机理研究
IF 5.6 2区 工程技术 Q2 ENERGY & FUELS Pub Date : 2024-08-30 DOI: 10.1016/j.joei.2024.101810
Shuanghui Liu, Fangmin Chen, Feng Duan, Lihui Zhang

A process of producing hydrogen-rich syngas by chemical looping steam gasification is proposed, using pickling sludge (PS) as the oxygen carrier and paper-making sludge(PMS) along with municipal sludge(MS) as the fuel. The reaction characteristics of producing hydrogen-rich syngas through the gasification of PMS and MS were studied. The effects of temperature, steam flow rate and the blended ratio of PS on carbon conversion rate and gasification reaction efficiency were discussed, and the migration mechanisms of the main elements were explained. The results show that FeF3 in PS exhibits stronger activity than conventional Fe2O3 in catalyzing the gasification of PMS and MS at high temperature. With the blended mass ratio of 1:1 of PS, the carbon conversion rate of PMS and MS was increased by 11.8 % and 42.5 %, and the gasification efficiency was increased by 11.1 % and 25.85 %. The Fe3+ in PS catalyzed the cleavage of C-H bonds in biomass sludge, and Fe3+ was reduced to form the intermediate product FeCr2O4 with tar cracking function. After the gasification reaction, the Fe in PS was completely converted to Fe3O4 under the action of MS, while the CaO in PMS promoted the valence cycle of Fe to some extent, resulting in partial Fe being fully cycled to Fe3+ to form γFe2O3. In addition, the CaO can fix the F element in PS to form CaF2, thus reducing the environmental hazard.

以酸洗污泥(PS)为氧载体,造纸污泥(PMS)和市政污泥(MS)为燃料,提出了一种通过化学循环蒸汽气化生产富氢合成气的工艺。研究了通过气化 PMS 和 MS 产生富氢合成气的反应特性。讨论了温度、蒸汽流速和 PS 混合比例对碳转化率和气化反应效率的影响,并解释了主要元素的迁移机制。结果表明,与传统的 Fe2O3 相比,PS 中的 FeF3 在高温下催化 PMS 和 MS 的气化过程中表现出更强的活性。当 PS 的混合质量比为 1:1 时,PMS 和 MS 的碳转化率分别提高了 11.8 % 和 42.5 %,气化效率分别提高了 11.1 % 和 25.85 %。PS 中的 Fe3+ 催化了生物质污泥中 C-H 键的裂解,Fe3+ 被还原形成具有焦油裂解功能的中间产物 FeCr2O4。气化反应后,PS 中的 Fe 在 MS 的作用下完全转化为 Fe3O4,而 PMS 中的 CaO 则在一定程度上促进了 Fe 的价态循环,使部分 Fe 完全循环为 Fe3+,形成γFe2O3。此外,氧化钙还能固定 PS 中的 F 元素,形成 CaF2,从而减少对环境的危害。
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引用次数: 0
Effects of dimethoxymethane and isopropanol blending on soot formation in ethylene and propane counterflow diffusion flames 二甲氧基甲烷和异丙醇混合对乙烯和丙烷逆流扩散火焰中烟尘形成的影响
IF 5.6 2区 工程技术 Q2 ENERGY & FUELS Pub Date : 2024-08-30 DOI: 10.1016/j.joei.2024.101805
Lei Xu , Jincheng Yang , Xinkai Shen , Xutong Wu , Dong Liu

Introducing low-carbon oxygenated fuels into the current transport sector provides an effective pathway for mitigating the emissions of greenhouse gases and harmful pollutants such as soot. Previous studies have revealed that oxygenated fuels can reduce soot formation, but the soot-reduction potential is closely related to the chemical interaction between the oxygenates and the baseline hydrocarbons. This work is devoted to study the effects of blending dimethoxymethane (DMM) and isopropanol (IPA) on soot formation in ethylene-based and propane-based counterflow diffusion flames. Soot formation in the target flames was experimentally characterized using a planar light extinction technique, accompanied by numerical analysis to provide complementary insights. The results confirmed that the effects of blending oxygenates on soot formation are sensitive to the fuel-specific molecular structure of the oxygenates and hydrocarbons. For the C2H4-based flames, blending DMM and IPA could lead to a synergistic effect on soot formation due to chemical fuel interaction, with stronger synergy observed with IPA blending. In contrast, no evident synergistic effects on soot formation were observed in the C3H8-based flames, for which a notable soot reduction was observed with DMM blending. Reaction pathway analysis suggested that the occurrence of soot synergy in the C2H4-based flames is mainly due to the chemical interaction between the methyl radicals generated from DMM/IPA and the C2 species from C2H4. This study is expected to deepen our understanding of the soot formation behavior of DMM- and IPA-blended flames, thus contributing to their successful usage as clean alternative fuels.

将低碳含氧燃料引入当前的交通领域,为减少温室气体和有害污染物(如烟尘)的排放提供了有效途径。以往的研究表明,含氧燃料可以减少烟尘的形成,但其减少烟尘的潜力与含氧化合物和基准碳氢化合物之间的化学作用密切相关。这项工作致力于研究混合二甲氧基甲烷(DMM)和异丙醇(IPA)对乙烯基和丙烷基逆流扩散火焰中烟尘形成的影响。使用平面光消光技术对目标火焰中的烟尘形成进行了实验表征,并通过数值分析提供了补充见解。结果证实,混合含氧化合物对烟尘形成的影响对含氧化合物和碳氢化合物的特定燃料分子结构非常敏感。对于以 C2H4 为基础的火焰,由于燃料的化学作用,混合 DMM 和 IPA 会对烟尘的形成产生协同效应,而混合 IPA 会产生更强的协同效应。相比之下,在基于 C3H8 的火焰中没有观察到对烟尘形成的明显协同效应,而在混合 DMM 的火焰中观察到烟尘明显减少。反应途径分析表明,在以 C2H4 为基础的火焰中出现烟尘协同作用主要是由于 DMM/IPA 产生的甲基自由基与 C2H4 产生的 C2 物种之间的化学作用。这项研究有望加深我们对 DMM 和 IPA 混合火焰烟尘形成行为的理解,从而促进它们作为清洁替代燃料的成功应用。
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引用次数: 0
Experimental and numerical study of laminar burning velocity for Diisobutylene+ PRF/TRF mixtures 二异丁烯+ PRF/TRF 混合物层流燃烧速度的实验和数值研究
IF 5.6 2区 工程技术 Q2 ENERGY & FUELS Pub Date : 2024-08-30 DOI: 10.1016/j.joei.2024.101802
Leilei Liu , Xinlu Han , Changhui Wang , Shuo Zhang , Hongqing Feng

DIB (Diisobutylene, JC8H16) strongly correlates with real gasoline and significantly impacts the combustion behavior of alternative fuels designed as gasoline substitutes. However, accuracy concerns persist in laminar burning velocity data reported in literature. In this paper, the laminar burning velocities of DIB + air, DIB + PRF + air, and DIB + TRF + air mixtures were measured by the heat flux method at 1 atm. (PRF, Primary Reference Fuel; TRF, Toluene Reference Fuel) The equivalence ratio was controlled within 0.6–1.3, and the initial temperatures were set at 298K, 318K, and 338K. Additionally, by employing the mechanism proposed by Ren et al., the simulated values align with the experimental data, thus prompting the conduction of a reaction kinetic analysis. The analysis of chemical reaction kinetics reveals the reaction pathways of DIB, with a notable observation that an increase in temperature or a decrease in equivalence ratio can both lead to an elevation in the degree of unsaturation in the bonds of intermediate species. During laminar flame combustion, PRF and TRF compete with DIB for oxygen, with PRF appearing to have a stronger ability to capture oxygen. In addition, the laminar burning velocity temperature dependence coefficient α decreases first and then increases with the increase of the equivalence ratio, where the minimum α is obtained at equivalence ratio = 1.1. Additionally, the laminar burning velocity at higher initial temperatures is estimated by the extrapolation method and compared with the experimental data reported in literature.

DIB(二异丁烯,JC8H16)与真正的汽油密切相关,并对设计为汽油替代品的替代燃料的燃烧行为产生重大影响。然而,文献中报道的层燃速度数据的准确性仍然存在问题。本文采用热通量法测量了 DIB + 空气、DIB + PRF + 空气和 DIB + TRF + 空气混合物在 1 atm 条件下的层燃速度。(等效比控制在 0.6-1.3 范围内,初始温度分别设定为 298K、318K 和 338K。此外,通过采用 Ren 等人提出的机理,模拟值与实验数据一致,从而促使进行反应动力学分析。化学反应动力学分析揭示了 DIB 的反应途径,发现温度升高或等效比降低都会导致中间产物键的不饱和程度升高。在层焰燃烧过程中,PRF 和 TRF 与 DIB 竞争氧气,其中 PRF 捕获氧气的能力似乎更强。此外,层燃速度温度相关系数α随着当量比的增加先减小后增大,当量比 = 1.1 时α最小。此外,还通过外推法估算了较高初始温度下的层流燃烧速度,并与文献报道的实验数据进行了比较。
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引用次数: 0
Towards enhanced monocyclic aromatic hydrocarbons production from Co-pyrolysis of biomass and waste polystyrene plastic 提高生物质与废聚苯乙烯塑料共热解生产单环芳烃的能力
IF 5.6 2区 工程技术 Q2 ENERGY & FUELS Pub Date : 2024-08-30 DOI: 10.1016/j.joei.2024.101812
Zhiwei Wang , Shuaihua Guo , Gaofeng Chen , Zaifeng Li , Mengge Wu , Yan Chen , Tingzhou Lei , Kiran G. Burra , Ashwani K. Gupta

Co-pyrolysis technology offers a viable solution for utilizing biomass and waste plastics as a valuable energy resource, to support waste management, energy supply and environmental protection. In this paper, co-pyrolysis of poplar tree (PT) and polystyrene (PS) at mixture ratios of 0:1, 3:1, 2:1, 1:1, 1:2, 1:3 and 1:0 under different pyrolysis temperatures (450, 550, 650, and 700 °C), using different catalysts (HZSM-5, MCM-41, Fe/HZSM-5, and Cu/HZSM-5) were investigated using gas chromatography/mass spectrometry (Py-GC/MS) diagnostics for determining products distribution and synergistic effects. The results showed that PT performed best at a pyrolysis temperature of 650 °C, whereas PS performed best at 550 °C. The relative amount of aromatics in the co-pyrolysis products of PT and PS was highest at 550 °C that showed positive synergistic effects. The synergistic effects from the co-pyrolysis of PT and PS were significantly different at different mixture ratios of the PT and PS feedstocks. At mixture ratios of 1:1 and 1:2, the relative amounts of polycyclic aromatic hydrocarbons (PAHs) and monocyclic aromatic hydrocarbons (MAH) were higher and showed positive synergistic effects. The catalysts promoted the generation of MAH and inhibited the PAHs formation in the co-pyrolysis. The Fe/HZSM-5 catalyst provided the most significant effect on MAH showing the highest relative amounts. The results showed that highest yield of monocyclic aromatic hydrocarbons can be achieved from the pyrolysis of PT and PS materials at 1:1 mixture ratio using Fe/HZSM-5 catalyst, at a reaction temperature of 550 °C.

共热解技术为利用生物质和废塑料作为宝贵的能源资源提供了可行的解决方案,有助于废物管理、能源供应和环境保护。在不同的热解温度(450、550、650 和 700 °C)下,使用不同的催化剂(HZSM-5、MCM-41、Fe/HZSM-5 和 Cu/HZSM-5),采用气相色谱/质谱分析法(Py-GC/MS)对聚苯乙烯和聚苯乙烯(PS)进行了研究,以确定产物分布和协同效应。结果表明,PT 在高温分解温度为 650 °C 时性能最佳,而 PS 在高温分解温度为 550 °C 时性能最佳。在 550 °C 时,PT 和 PS 共同热解产物中芳烃的相对含量最高,显示出积极的协同效应。在 PT 和 PS 原料的不同混合比例下,PT 和 PS 共热解的协同效应有显著差异。当混合比为 1:1 和 1:2 时,多环芳烃(PAHs)和单环芳烃(MAH)的相对含量较高,显示出积极的协同效应。催化剂在共热解过程中促进了 MAH 的生成,抑制了 PAHs 的形成。其中,Fe/HZSM-5 催化剂对 MAH 的影响最为显著,相对含量最高。结果表明,使用 Fe/HZSM-5 催化剂以 1:1 的混合比例热解 PT 和 PS 材料,在 550 °C 的反应温度下可获得最高产量的单环芳烃。
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引用次数: 0
One-step synthesis of Pt@(CrMnFeCoNi)3O4 high entropy oxide catalysts through flame spray pyrolysis 通过火焰喷射热解一步合成 Pt@(CrMnFeCoNi)3O4高熵氧化物催化剂
IF 5.6 2区 工程技术 Q2 ENERGY & FUELS Pub Date : 2024-08-30 DOI: 10.1016/j.joei.2024.101804
Haonan Zheng , Yiran Zhang , Zibo Xu , Guangzhao Zhou , Xuteng Zhao , Zhen Huang , He Lin

High entropy oxides (HEOs) show great prospects in catalysis owing to their widely tunable component structures and ease of combination with active metals. However, the development of HEO catalysts is limited by the lack of efficient synthesis methods due to the difficulty of homogeneously mixing at least five elements. In this work, flame spray pyrolysis (FSP) is successfully employed to synthesize (CrMnFeCoNi)3O4 HEO with a single phase spinel structure in one step, which is verified by X-ray diffraction (XRD), high-resolution transmission electron microscopy (HRTEM), selected area electron diffraction (SAED), and energy-dispersive X-ray spectroscopy (EDS). Taking CO catalytic oxidation as a probe reaction, the Pt@(CrMnFeCoNi)3O4 HEO catalyst synthesized by FSP in one step is compared with the catalyst whose Pt is impregnated on (CrMnFeCoNi)3O4 HEO support. The FSP-made catalysts have a higher catalytic reaction rate and better redox ability, which lowers the temperature of complete CO conversion by nearly 100 °C. Furthermore, it can be observed that the flame parameters can be optimized to modify the particle size and oxygen vacancies of the HEO nanoparticles, thus enhancing the catalytic performances. This work demonstrates that FSP is an effective method for the one-step synthesis of HEO catalysts with excellent catalytic performance, providing a new perspective for the synthesis of HEO-based materials.

高熵氧化物(HEOs)由于其组分结构可广泛调整,且易于与活性金属结合,因此在催化领域具有广阔的前景。然而,由于很难将至少五种元素均匀混合,缺乏高效的合成方法限制了高熵氧化物催化剂的发展。本研究采用火焰喷射热解(FSP)技术,成功地一步合成了具有单相尖晶石结构的(CrMnFeCoNi)3O4 HEO,并通过 X 射线衍射(XRD)、高分辨率透射电子显微镜(HRTEM)、选区电子衍射(SAED)和能量色散 X 射线光谱(EDS)进行了验证。以一氧化碳催化氧化反应为研究对象,比较了通过 FSP 一步合成的 Pt@(CrMnFeCoNi)3O4 HEO 催化剂和在(CrMnFeCoNi)3O4 HEO 载体上浸渍 Pt 的催化剂。FSP 制成的催化剂具有更高的催化反应速率和更好的氧化还原能力,可将 CO 完全转化的温度降低近 100 °C。此外,还可以通过优化火焰参数来改变 HEO 纳米颗粒的粒度和氧空位,从而提高催化性能。这项工作表明,FSP 是一步合成具有优异催化性能的 HEO 催化剂的有效方法,为 HEO 基材料的合成提供了一个新的视角。
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引用次数: 0
Mechanistic analysis of hydrogen-rich Co-gasification of pine wood and polypropylene-based waste masks using Fe/Dol catalyst 使用 Fe/Dol 催化剂对松木和聚丙烯基废弃掩模进行富氢共气化的机理分析
IF 5.6 2区 工程技术 Q2 ENERGY & FUELS Pub Date : 2024-08-30 DOI: 10.1016/j.joei.2024.101801
Yong-hong Niu , Zheng-yang Chi , Zhi-qiang Wang , Man Yang , Feng-tao Han

Disposable masks, predominantly made of polypropylene melt-blown fabric, present a significant environmental challenge due to their large volume and resistance to natural degradation. This study explores the co-gasification of forestry waste, specifically pine wood, and waste masks to enhance biomass gasification efficiency while enabling the high-value utilization of waste materials. The Fe/Dol catalyst, prepared by loading transition metal Fe onto calcined dolomite using the impregnation method, was tested in a two-stage fixed-bed gasification system. Steam was employed as the gasifying agent. The study systematically examines the effects of steam flow rate, gasification reforming temperature, the mixing ratio of pine wood to masks, and Fe loading on the catalyst's performance in gas-phase and liquid-phase product formation.Characterization analyses revealed that Fe oxides facilitate the cleavage of aromatic rings in aromatic compounds, leading to the formation of two-carbon chain segments and promoting the production of ethylene and propylene from aliphatic hydrocarbons. Additionally, the catalyst enhanced tar cracking, generating free radicals and ring bonds. Experimental results indicate that at a steam flow rate of 3 mg/min, a gasification temperature of 850 °C, a pine wood to mask mixing ratio of 1:2, and an Fe loading of 8 %, the hydrogen (H2) volume fraction reached 52.48 %, with a gas yield of 1.67 m³/kg and a hydrogen production rate of 78.25 g/kg.

一次性口罩主要由聚丙烯熔喷织物制成,由于其体积大且不易自然降解,给环境带来了巨大挑战。本研究探讨了林业废弃物(特别是松木)和废弃口罩的联合气化,以提高生物质气化效率,同时实现废弃材料的高价值利用。采用浸渍法将过渡金属 Fe 添加到煅烧白云石上制备的 Fe/Dol 催化剂在两级固定床气化系统中进行了测试。气化剂采用蒸汽。研究系统地考察了蒸汽流速、气化重整温度、松木与掩模的混合比以及铁的负载量对催化剂在气相和液相产品形成中性能的影响。表征分析表明,铁氧化物可促进芳香族化合物中芳香环的裂解,从而形成双碳链段,并促进脂肪烃生产乙烯和丙烯。此外,催化剂还能促进焦油裂解,产生自由基和环键。实验结果表明,在蒸汽流速为 3 mg/min、气化温度为 850 ℃、松木与掩蔽剂混合比为 1:2、铁负载为 8 % 的条件下,氢气(H2)体积分数达到 52.48 %,气体产量为 1.67 m³/kg,氢气生产率为 78.25 g/kg。
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引用次数: 0
Numerical investigation and optimization of the ammonia/diesel dual fuel engine combustion under high ammonia substitution ratio 高氨替代率下氨/柴油双燃料发动机燃烧的数值研究与优化
IF 5.6 2区 工程技术 Q2 ENERGY & FUELS Pub Date : 2024-08-20 DOI: 10.1016/j.joei.2024.101797
Shouzhen Zhang, Qinglong Tang, Haifeng Liu, Rui Yang, Mingfa Yao

This study investigated the effects of initial temperature, equivalence ratio, and diesel injection timing on engine combustion and emission characteristics at high ammonia substitution ratios. Increased compression temperature and pressure significantly reduce ignition delay, enhance combustion speed and efficiency, and decrease N2O and unburned NH3 emissions. A strong correlation exists between the amount of N2O produced and the mass of unburned NH3 when ammonia combustion efficiency is high. The N2O distribution is concentrated near the cylinder walls and the piston top surface, in areas with high concentrations of unburned NH3. As the equivalence ratio increases from 0.6 to 0.75, flame propagation speed and indicated thermal efficiency (ITE) increase, while NOx, N2O, and unburned NH3 emissions decrease. The combustion performance and emissions were optimized by advancing the diesel injection timing and increasing the equivalence ratio to accelerate the combustion speed. This adjustment increases ITE to 47.6 % at an 80 % ammonia energy ratio. Post-optimization results show a reduction in unburned NH3 emissions from 51.7 g/kW·h to 5.9 g/kW·h and a decrease in N2O emissions from 0.930 g/kW·h to 0.370 g/kW·h, culminating in a 60.4 % reduction in greenhouse gas (GHG) emissions.

本研究探讨了在高氨替代率条件下,初始温度、等效比和柴油喷射正时对发动机燃烧和排放特性的影响。提高压缩温度和压力可显著减少点火延迟,提高燃烧速度和效率,减少一氧化二氮和未燃尽 NH3 的排放。当氨燃烧效率较高时,N2O 的产生量和未燃尽 NH3 的质量之间存在很强的相关性。N2O 分布集中在气缸壁和活塞顶表面附近,即未燃烧 NH3 浓度较高的区域。当当量比从 0.6 增加到 0.75 时,火焰传播速度和指示热效率(ITE)增加,而氮氧化物、一氧化二氮和未燃烧的 NH3 排放量减少。通过提前柴油喷射时间和增加当量比来加快燃烧速度,从而优化了燃烧性能和排放。在氨能比为 80% 的情况下,这一调整将 ITE 提高到 47.6%。优化后的结果显示,未燃烧的 NH3 排放量从 51.7 g/kW-h 减少到 5.9 g/kW-h,N2O 排放量从 0.930 g/kW-h 减少到 0.370 g/kW-h,温室气体 (GHG) 排放量最终减少了 60.4%。
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引用次数: 0
Micropore effects on coal pyrolysis process investigated by using reactive molecular dynamics 利用反应分子动力学研究微孔对煤热解过程的影响
IF 5.6 2区 工程技术 Q2 ENERGY & FUELS Pub Date : 2024-08-18 DOI: 10.1016/j.joei.2024.101798
Mo Zheng , Xiaoxia Li

The micropore structure can serve as the diffusion channels for intermediates and light tar products during coal pyrolysis, which is very important for modulating the desired tar or char products. In this work, the micropore effects on product distribution and the reaction mechanisms during Hailaer coal pyrolysis was explored for the first time from the atomistic simulation point of view by using large-scale ReaxFF MD simulation and the reasonable model with the artificially adding micropore strategy. The results suggest that the micropore structure indeed has a significant impact on the major tar product distribution and competitive reactions during coal pyrolysis process at high temperature. The micropore can promote decomposition reactions through accelerating C–C bond breaking significantly and inhibit the recombination reactions accompanied with the char formation with more carbon in sp2 structure. Based on the oxygen-containing bond behaviors in char products obtained from coal pyrolysis process, it is unraveled that the more micropore exits in coal structure, the more Csp3-O bonds and less Csp2-O bonds in char precursors. Particularly, the light tar products with ring groups are more influenced by micorpore structures than those chain products. Considering that the limitation of current experimental techniques in micropore detection, the strategy sheds new light on the depth investigation of micropore effects on reactions, which can provide complement for experimental observations and tar product modulation.

微孔结构可以作为煤热解过程中中间产物和轻焦油产物的扩散通道,这对于调制所需的焦油或焦炭产物非常重要。本研究利用大规模 ReaxFF MD 模拟和人工添加微孔策略的合理模型,首次从原子模拟的角度探讨了海拉尔煤热解过程中微孔对产物分布和反应机理的影响。结果表明,微孔结构确实对高温下煤热解过程中主要焦油产物的分布和竞争反应有重要影响。微孔能显著加速 C-C 键的断裂,从而促进分解反应,并抑制伴随着更多 sp2 结构碳形成的炭的重组反应。根据煤热解过程中得到的焦炭产物中的含氧键行为,可以发现煤结构中的微孔越多,焦炭前驱体中的 Csp3-O 键就越多,Csp2-O 键就越少。特别是带环状基团的轻质焦油产物比链状产物受微孔结构的影响更大。考虑到现有实验技术在微孔检测方面的局限性,该策略为深入研究微孔对反应的影响提供了新的思路,可为实验观察和焦油产物调控提供补充。
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引用次数: 0
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