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Torrefaction integrated with steam gasification of agricultural biomass wastes for enhancing tar reduction and hydrogen-rich syngas production 将农业生物质废物的热解与蒸汽气化相结合,提高焦油减量和富氢合成气产量
IF 8.1 2区 工程技术 Q1 CHEMISTRY, PHYSICAL Pub Date : 2024-11-13 DOI: 10.1016/j.ijhydene.2024.11.144
Quanhui Zhou , Yafei Shen , Qiaoqiao Zhou , Chun Zhang , Xuehong Gu
Steam gasification is considered as a promising technology for conversion of various biomass wastes to valuable hydrogen (H2)-rich gas products that can be applied for the sustainable production of green hydrogen and methanol. However, some inevitable problems such as high tar content and low cold gas efficiency greatly hinder its broad application. Torrefaction has been widely employed for upgrading low-rank biomass sources that favors the follow-up gasification process, resulting in low tar yield and high syngas yield. Torrefied biomass usually shows higher energy density, improved grindability characteristics, and lower O/C and H/C ratios. This research work studies the effect of torrefaction on steam gasification of corncob (CC) and rice husk (RH). The mechanisms of biomass torrefaction integrated with steam gasification are also given. Biomass torrefied at a relatively high temperature (280 °C) is more efficient to extract the oxygenated volatiles, reducing the generation of tar and particulate matters during the gasification process. The increase of torrefaction temperature resulted in an increase of H2 yield and a decrease of CO yield, corresponding to an increase of H2/CO ratio. Particularly, the H2 yield in the CC-derived syngas increased from 6.38 mmol/g (raw) to 12.01 mmol/g (280 °C), and the H2 yield in the RH-derived syngas increased from 4.33 mmol/g (raw) to 12.97 mmol/g (280 °C). Steam gasification of RH torrefied at 280 °C achieved a maximum H2/CO ratio of 2.84. After torrefaction of CC and BB at 280 °C, the tar yield of steam gasification was below 1% [gasification temperature: 800 °C, mass ratio of steam to biomass (S/B): 1]. In general, the torrefaction pretreatment of biomass at relatively high temperatures (i.e., 280 °C) favors the steam gasification process under an appropriate S/B (i.e., 1) in terms of improving the syngas quality and reducing the tar production.
蒸汽气化被认为是将各种生物质废物转化为有价值的富氢(H2)气体产品的一种有前途的技术,可用于绿色氢气和甲醇的可持续生产。然而,焦油含量高和冷气效率低等不可避免的问题极大地阻碍了其广泛应用。目前已广泛应用于低级生物质资源的升级,有利于后续气化过程,从而实现低焦油产率和高合成气产率。热解生物质通常具有更高的能量密度、更好的可磨性以及更低的 O/C 和 H/C 比率。本研究工作研究了热解对玉米芯(CC)和稻壳(RH)蒸汽气化的影响。研究还给出了生物质热解与蒸汽气化相结合的机理。在相对较高的温度(280 °C)下进行生物质热解能更有效地提取含氧挥发物,减少气化过程中焦油和颗粒物质的产生。提高热解温度可增加 H2 产率,降低 CO 产率,从而提高 H2/CO 比率。其中,CC 衍生合成气的 H2 产量从 6.38 毫摩尔/克(原气)增加到 12.01 毫摩尔/克(280 °C),RH 衍生合成气的 H2 产量从 4.33 毫摩尔/克(原气)增加到 12.97 毫摩尔/克(280 °C)。在 280 ℃ 下对 RH 进行蒸汽气化时,H2/CO 比率最高可达 2.84。CC 和 BB 在 280 ℃ 高温下进行热解后,蒸汽气化的焦油产率低于 1%[气化温度:800 ℃,蒸汽与生物质的质量比(S/B):1]。总的来说,在相对较高的温度下(即 280 ℃)对生物质进行预处理,有利于在适当的 S/B(即 1)条件下进行蒸汽气化,从而提高合成气质量并减少焦油产量。
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引用次数: 0
Boosting interfacial charge transfer of 2D g-C3N4 by incorporating 0D Ag and 2D metallic NiCo2O4 as dual electron donor and acceptor co-catalysts for photocatalytic hydrogen evolution 将 0D Ag 和 2D 金属 NiCo2O4 作为光催化氢气进化的双重电子供体和受体助催化剂,促进 2D g-C3N4 的界面电荷转移
IF 8.1 2区 工程技术 Q1 CHEMISTRY, PHYSICAL Pub Date : 2024-11-13 DOI: 10.1016/j.ijhydene.2024.11.049
Hanson Clinton D Souza , Ashok Sankar , Yuvaraj Sivalingam , Bernaurdshaw Neppolian , Ganesh Vattikondala
Efficient light absorption and photoinduced electron transfer from the g-C3N4 (CN) continue to be an ongoing challenge in photocatalytic hydrogen production. Nanodimensional metallic cocatalysts can offer superior electron transport pathways, thereby augmenting photocatalytic activity. In our work metallic NiCo2O4 (NCO) acts as an electron acceptor cocatalyst in a 2D-2D Schottky junction with CN and 0D silver (Ag) functions as a hot electron donor via the localized surface plasmon resonance phenomenon. The novel Ag–CN–NCO nanocomposite was shown to boost visible light absorption while inhibiting charge carrier recombination through optical experiments. The Ag–CN–NCO nanocomposite demonstrated superior photocatalytic activity compared to CN loaded with a single cocatalyst, producing hydrogen at a rate of approximately 2320 μmol/g/h. Additionally, Ag–CN–NCO produced a lower overpotential and almost five times more photocurrent density than CN, as demonstrated by photoelectrochemical studies. This work highlights the development of a novel charge transfer pathway by combining two co-catalysts with different functions and their combined action on the photocatalytic hydrogen production process.
g-C3N4 (CN)的高效光吸收和光诱导电子传递仍然是光催化制氢过程中的一项持续挑战。纳米金属茧催化剂可提供出色的电子传输途径,从而提高光催化活性。在我们的研究中,金属镍钴氧化物(NCO)在与氯化萘的 2D-2D 肖特基结中充当电子受体协同催化剂,而 0D 银(Ag)则通过局部表面等离子体共振现象充当热电子供体。光学实验表明,新型 Ag-CN-NCO 纳米复合材料在抑制电荷载流子重组的同时,还能促进可见光的吸收。Ag-CN-NCO 纳米复合材料的光催化活性优于负载单一助催化剂的 CN,产生氢气的速率约为 2320 μmol/g/h。此外,光电化学研究表明,Ag-CN-NCO 产生的过电位更低,光电流密度几乎是 CN 的五倍。这项工作强调了通过结合两种具有不同功能的助催化剂及其对光催化制氢过程的联合作用,开发出一种新型电荷转移途径。
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引用次数: 0
TDS Simulator: A MATLAB App to model temperature-programmed hydrogen desorption TDS 模拟器:模拟温度编程氢解吸的 MATLAB 应用程序
IF 8.1 2区 工程技术 Q1 CHEMISTRY, PHYSICAL Pub Date : 2024-11-13 DOI: 10.1016/j.ijhydene.2024.11.014
Enrique García-Macías , Zachary D. Harris , Emilio Martínez-Pañeda
We present TDS Simulator, a new software tool aimed at modelling thermal desorption spectroscopy (TDS) experiments. TDS is a widely used technique for quantifying key characteristics of hydrogen-material interactions, such as diffusivity and trapping. However, interpreting the output of TDS experiments is non-trivial and requires appropriate post-processing tools. This work introduces the first software tool capable of simulating TDS curves for arbitrary choices of material parameters and hydrogen trap characteristics, using the primary hydrogen diffusion and trapping models (Oriani, McNabb–Foster). Moreover, TDS Simulator contains a specific functionality for loading experimental TDS data and conducting the inverse calibration of a selected transport model, providing automatic estimates of the density and binding energy of each hydrogen trap type in the material. In its first version, TDS Simulator is provided as a MATLAB App, which is made freely available to the community and provides a simple graphical user interface (GUI) to make use of TDS Simulator straightforward. As reported in the present manuscript, the outputs of TDS Simulator have been extensively validated against literature data. Demonstrations of automatic determination of trap characteristics from experimental data through the optimization tool are also provided. The present work enables an efficient and straightforward characterization of hydrogen-material characteristics relevant to multiple applications, from nuclear fusion to the development of hydrogen-compatible materials for the hydrogen economy. TDS Simulator can be downloaded from https://mechmat.web.ox.ac.uk/codes.
我们介绍的 TDS 模拟器是一款新的软件工具,旨在为热解吸光谱(TDS)实验建模。TDS 是一种广泛使用的技术,用于量化氢与材料相互作用的关键特性,如扩散性和捕获。然而,解释 TDS 实验的输出结果并非易事,需要适当的后处理工具。这项研究首次推出了一种软件工具,能够利用主要的氢扩散和捕集模型(Oriani、McNabb-Foster)模拟任意选择的材料参数和氢捕集特性的 TDS 曲线。此外,TDS 模拟器还包含一个特定功能,用于加载实验 TDS 数据,并对选定的传输模型进行反校准,自动估算材料中每种氢阱类型的密度和结合能。TDS 模拟器的第一个版本是以 MATLAB 应用程序的形式提供的,向社会免费开放,并提供了一个简单的图形用户界面(GUI),使 TDS 模拟器的使用更加简单明了。正如本手稿所报告的,TDS 模拟器的输出结果已根据文献数据进行了广泛验证。此外,还提供了通过优化工具根据实验数据自动确定捕集器特性的演示。目前的工作能够高效、直接地表征与多种应用相关的氢材料特性,从核聚变到开发氢经济所需的氢兼容材料。TDS 模拟器可从 https://mechmat.web.ox.ac.uk/codes 下载。
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引用次数: 0
Seaweed-like Co-MOF/Cu(OH)2/CF composite as an advanced pre-catalyst for oxygen evolution reaction 海藻状 Co-MOF/Cu(OH)2/CF 复合材料作为氧进化反应的高级前催化剂
IF 8.1 2区 工程技术 Q1 CHEMISTRY, PHYSICAL Pub Date : 2024-11-12 DOI: 10.1016/j.ijhydene.2024.11.087
Liuyang Guo , Qiming Jiang , Shanjing Liu , Ziyi Zeng , Xingmei Guo , Xiangjun Zheng , Yuanjun Liu , Qianqian Fan , Zhongyao Duan , Chunsheng Li , Junhao Zhang
Directly applying metal-organic frameworks (MOFs) as electrocatalysts or pre-catalysts for the oxygen evolution reaction (OER) faces significant challenges, due to the lack of exposed active sites, low electronic conductivity, and poor structure stability. Herein, a novel alkaline leaching-solvothermal strategy is proposed to synthesize seaweed-like Co-MOF/Cu(OH)2 on copper foam (CF), which is applied as self-supporting pre-catalyst for OER. After electrochemical activation, Co-MOF/Cu(OH)2/CF only requires an overpotential of 279 mV at 50 mA cm−2 and operates steadily for 72 h with negligible activity deterioration. The high activity and stability mainly benefit from the unique structural arrangement, in which Cu(OH)2 nanoneedles serve as firm substrates to grow and stabilize Co-MOFs. The two-dimensional Co-MOFs with nanometer thickness and high accessible surfaces could expose sufficient metal coordination sites, which are ready for reconstruction and electrocatalysis. Additionally, CF framework helps to maintain the self-supporting structure and acts as current collector to enhance the charge/electron transfer efficiency during OER.
由于金属有机框架(MOFs)缺乏暴露的活性位点、电子电导率低、结构稳定性差,直接将其用作氧进化反应(OER)的电催化剂或预催化剂面临着巨大挑战。本文提出了一种新颖的碱性浸出-溶热策略,在泡沫铜(CF)上合成海藻状 Co-MOF/Cu(OH)2,并将其用作氧进化反应的自支撑前催化剂。电化学活化后,Co-MOF/Cu(OH)2/CF 在 50 mA cm-2 的条件下只需要 279 mV 的过电位,并可稳定运行 72 小时,活性衰减几乎可以忽略不计。高活性和稳定性主要得益于其独特的结构排列,其中 Cu(OH)2 纳米针是生长和稳定 Co-MOF 的牢固基底。二维 Co-MOFs 具有纳米厚度和高可触及表面,可暴露出足够的金属配位位点,为重构和电催化做好了准备。此外,CF 框架有助于维持自支撑结构,并在 OER 过程中充当集流器,提高电荷/电子转移效率。
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引用次数: 0
Robust alkaline stability of MOFs functionalized poly (aryl ether ketone) anion exchange membranes for hydrogen fuel cells 用于氢燃料电池的 MOFs 功能化聚(芳基醚酮)阴离子交换膜的强大碱性稳定性
IF 8.1 2区 工程技术 Q1 CHEMISTRY, PHYSICAL Pub Date : 2024-11-12 DOI: 10.1016/j.ijhydene.2024.11.104
Xiaodong Li
In this paper, poly (aryl ether ketone sulfone) polymers containing amino groups (Am-PAEKS) was synthesized via a direct polycondensation reaction, and subsequently, imidazole functionalized Am-PAEKS (Im-Am-PAEKS) was prepared by functionalized modification using chlorinated 1-allyl-3-methylimidazole. Meanwhile, cationically modified UiO-66-NH2 metal-organic frameworks (CA-MOF) were added by cationic modification of D-UiO-66-NH2, which were introduced into the polymer matrix as filler, composite membranes with different contents of cationic MOFs were prepared. The structures and morphologies of D-UiO-66-NH2, CA-MOF and the composite membranes were also characterized by 1H NMR, FT-IR, SEM and EDS. The prepared composite membranes exhibited good ionic conductivity, with a higher ionic conductivity of 0.184 S cm−1 at 80 °C than that of the pure membrane (0.074 S cm−1 at 80 °C). The open-circuit voltage (OCV) and peak power density of the composite membrane were respectively 0.924 V and 69.80 mW cm−2. Meanwhile, all prepared composite membranes had excellent dimensional stability, with all membranes exhibiting a swelling ratio of less than 12%. These consequences demonstrate the composite membrane prepared in this article has a good application prospect for anion-exchange membrane fields.
本文通过直接缩聚反应合成了含氨基基团的聚(芳基醚酮砜)聚合物(Am-PAEKS),随后使用氯化1-烯丙基-3-甲基咪唑进行功能化改性,制备了咪唑功能化Am-PAEKS(Im-Am-PAEKS)。同时,通过对D-UiO-66-NH2进行阳离子改性,加入阳离子改性的UiO-66-NH2金属有机框架(CA-MOF),将其作为填料引入聚合物基体中,制备出不同阳离子MOF含量的复合膜。D-UiO-66-NH2 、CA-MOF 和复合膜的结构和形态也通过 1H NMR、FT-IR、SEM 和 EDS 进行了表征。制备的复合膜具有良好的离子传导性,80 ℃ 时的离子传导性为 0.184 S cm-1,高于纯膜(80 ℃ 时为 0.074 S cm-1)。复合膜的开路电压(OCV)和峰值功率密度分别为 0.924 V 和 69.80 mW cm-2。同时,所有制备的复合膜都具有良好的尺寸稳定性,所有膜的膨胀率均小于 12%。这些结果表明,本文制备的复合膜在阴离子交换膜领域具有良好的应用前景。
{"title":"Robust alkaline stability of MOFs functionalized poly (aryl ether ketone) anion exchange membranes for hydrogen fuel cells","authors":"Xiaodong Li","doi":"10.1016/j.ijhydene.2024.11.104","DOIUrl":"10.1016/j.ijhydene.2024.11.104","url":null,"abstract":"<div><div>In this paper, poly (aryl ether ketone sulfone) polymers containing amino groups (Am-PAEKS) was synthesized via a direct polycondensation reaction, and subsequently, imidazole functionalized Am-PAEKS (Im-Am-PAEKS) was prepared by functionalized modification using chlorinated 1-allyl-3-methylimidazole. Meanwhile, cationically modified UiO-66-NH<sub>2</sub> metal-organic frameworks (CA-MOF) were added by cationic modification of D-UiO-66-NH<sub>2</sub>, which were introduced into the polymer matrix as filler, composite membranes with different contents of cationic MOFs were prepared. The structures and morphologies of D-UiO-66-NH<sub>2</sub>, CA-MOF and the composite membranes were also characterized by <sup>1</sup>H NMR, FT-IR, SEM and EDS. The prepared composite membranes exhibited good ionic conductivity, with a higher ionic conductivity of 0.184 S cm<sup>−1</sup> at 80 °C than that of the pure membrane (0.074 S cm<sup>−1</sup> at 80 °C). The open-circuit voltage (OCV) and peak power density of the composite membrane were respectively 0.924 V and 69.80 mW cm<sup>−2</sup>. Meanwhile, all prepared composite membranes had excellent dimensional stability, with all membranes exhibiting a swelling ratio of less than 12%. These consequences demonstrate the composite membrane prepared in this article has a good application prospect for anion-exchange membrane fields.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"94 ","pages":"Pages 232-243"},"PeriodicalIF":8.1,"publicationDate":"2024-11-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142657008","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Design and thermodynamic analysis of a solar-wind energy-based combined system for cleaner production of hydrogen with power, heating, hot water and clean water 基于太阳能和风能的氢气清洁生产联合系统的设计和热力学分析,包括发电、供暖、热水和清洁水
IF 8.1 2区 工程技术 Q1 CHEMISTRY, PHYSICAL Pub Date : 2024-11-12 DOI: 10.1016/j.ijhydene.2024.11.097
Nejat Tukenmez , Yunus Emre Yuksel , Murat Ozturk
A renewable energy-based combined energy generation system is modeled and assessed in this study to provide a potential solution to environmental problems where different power plants have been produced. The proposed power generation system consists of five main sub-plants: solar collector process supported by wind turbines, organic Rankine cycle, freshwater production plant, hydrogen production plant, and proton exchanged membrane fuel cell plant. The proposed power generation plant utilizes solar energy and wind energy to operate itself. Some comparative and comprehensive studies have been conducted to assess the performance of the renewable energy-based plant. The integrated plant has been designed to produce hydrogen at 0.0184 kg per second, while freshwater is produced at 82.71 kg per second. The plant can also generate 5027 kW of power at the defined conditions. Energy and exergy efficiencies of the designed system have been computed as 42.57% and 33.61%. Comprehensive and comparative sub-plant assessments have been performed in the paper to present practical information about the related subsystem.
本研究对基于可再生能源的联合能源发电系统进行了建模和评估,为解决不同发电厂产生的环境问题提供了一个潜在的解决方案。拟议的发电系统由五个主要子工厂组成:由风力涡轮机支持的太阳能集热器工艺、有机朗肯循环、淡水生产厂、制氢厂和质子交换膜燃料电池厂。拟议的发电厂利用太阳能和风能自行运行。为了评估基于可再生能源的发电厂的性能,我们进行了一些全面的比较研究。综合发电厂设计的氢气生产率为每秒 0.0184 千克,淡水生产率为每秒 82.71 千克。在规定的条件下,该工厂还能产生 5027 千瓦的电力。经计算,设计系统的能效和放能效率分别为 42.57% 和 33.61%。本文对子系统进行了全面的比较评估,以提供相关子系统的实用信息。
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引用次数: 0
A coal constituent based kinetic model for direct coal liquefaction 基于煤成分的煤直接液化动力学模型
IF 8.1 2区 工程技术 Q1 CHEMISTRY, PHYSICAL Pub Date : 2024-11-12 DOI: 10.1016/j.ijhydene.2024.11.017
Xizhuang Qin , Tao Shen , Guanbo Li , Lei Shi , Zhenyu Liu , Qingya Liu
In order to obtain chemically meaningful and extendable kinetics for direct coal liquefaction (DCL) the experimental coal conversion (XC) and oil yield (YO) are correlated with coal constituents and the conditions. The coal is assumed to have three constituents mimicking its maceral constituents liptinite, vitrinite and inertinite. The quantities of them are estimated based on the TG curve of coal, and correlated with the XC and YO by non-linear regression. For Naomaohu (NMH) coal that is dominant with the vitrinite and Shangwan (SW) coal that has similar contents of vitrinite and inertinite, the three-constituent kinetics model is significantly better than that of traditional single-component kinetics model that requires the regression-determined maximum conversion XC,M and maximum oil yield YO,M. The k1 for the vitrinite-like component a1 is always much larger than k2 for the inertinite-like component a2, and k1 usually shows a better relationship with 1/T than k2. The Ea of NMH for XC and YO are close to each other, suggesting a high content of weak bonds in the structure; whereas the Ea of SW for YO is significantly larger than that of XC, suggesting that many oil originates from the secondary reaction rather than the primary covalent bond cleavage.
为了获得有化学意义且可扩展的煤直接液化(DCL)动力学,实验中的煤转化率(XC)和产油量(YO)与煤的成分和条件相关联。假定煤有三种成分,分别是模仿其大分子成分的石灰石、玻璃石和惰性石灰石。它们的数量根据煤的 TG 曲线进行估算,并通过非线性回归与 XC 和 YO 相关联。对于以沸石为主的直磨湖(NMH)煤和沸石、惰性石含量相近的上湾(SW)煤,三组分动力学模型明显优于需要回归确定最大转化率 XC,M 和最大产油量 YO,M 的传统单组分动力学模型。类矾石组分 a1 的 k1 总是远大于类惰性组分 a2 的 k2,而且 k1 与 1/T 的关系通常比 k2 更好。XC 和 YO 的 NMH 的 Ea 值相互接近,表明结构中弱键的含量较高;而 YO 的 SW 的 Ea 值明显大于 XC 的,表明许多油源自二次反应而非一次共价键裂解。
{"title":"A coal constituent based kinetic model for direct coal liquefaction","authors":"Xizhuang Qin ,&nbsp;Tao Shen ,&nbsp;Guanbo Li ,&nbsp;Lei Shi ,&nbsp;Zhenyu Liu ,&nbsp;Qingya Liu","doi":"10.1016/j.ijhydene.2024.11.017","DOIUrl":"10.1016/j.ijhydene.2024.11.017","url":null,"abstract":"<div><div>In order to obtain chemically meaningful and extendable kinetics for direct coal liquefaction (DCL) the experimental coal conversion (<em>X</em><sub>C</sub>) and oil yield (<em>Y</em><sub>O</sub>) are correlated with coal constituents and the conditions. The coal is assumed to have three constituents mimicking its maceral constituents liptinite, vitrinite and inertinite. The quantities of them are estimated based on the TG curve of coal, and correlated with the <em>X</em><sub>C</sub> and <em>Y</em><sub>O</sub> by non-linear regression. For Naomaohu (NMH) coal that is dominant with the vitrinite and Shangwan (SW) coal that has similar contents of vitrinite and inertinite, the three-constituent kinetics model is significantly better than that of traditional single-component kinetics model that requires the regression-determined maximum conversion <em>X</em><sub>C,M</sub> and maximum oil yield <em>Y</em><sub>O,M</sub>. The <em>k</em><sub>1</sub> for the vitrinite-like component <em>a</em><sub>1</sub> is always much larger than <em>k</em><sub>2</sub> for the inertinite-like component <em>a</em><sub>2,</sub> and <em>k</em><sub>1</sub> usually shows a better relationship with 1/T than <em>k</em><sub>2</sub>. The <em>E</em><sub>a</sub> of NMH for <em>X</em><sub>C</sub> and <em>Y</em><sub>O</sub> are close to each other, suggesting a high content of weak bonds in the structure; whereas the <em>E</em><sub>a</sub> of SW for <em>Y</em><sub>O</sub> is significantly larger than that of <em>X</em><sub>C</sub>, suggesting that many oil originates from the secondary reaction rather than the primary covalent bond cleavage.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"94 ","pages":"Pages 310-319"},"PeriodicalIF":8.1,"publicationDate":"2024-11-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142657011","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Advances in alternative metal oxide materials of various structures for electrochemical and catalytic applications 用于电化学和催化应用的各种结构的替代金属氧化物材料的研究进展
IF 8.1 2区 工程技术 Q1 CHEMISTRY, PHYSICAL Pub Date : 2024-11-12 DOI: 10.1016/j.ijhydene.2024.11.072
Vladislav A. Sadykov , Nikita F. Eremeev , Anna V. Shlyakhtina , Elena Yu Pikalova
Recent directions concerning hydrogen production, storage and utilization result in growing the demand for efficient technologies, a huge part of which is connected with the application of materials based on complex oxides as efficient catalysts for the fuel reforming, permselective membranes, components of solid oxide fuel cells and electrolyzers. These materials are generally based on the oxides with perovskite and fluorite structures or their derivatives. On the other hand, other classes of materials are recently considered as promising materials for these applications due to their peculiar functional characteristics or an outstanding potential of their improvement. They include a variety of types of rare earth element tungstates/molybdates, Co and Ba cobalitites with layered structure as well as other materials including langasites, magnetoplumbites, swedenborgites, etc., and composites based on them. In this work, structural, transport features and performance of such modern materials are reviewed.
最近有关氢气生产、储存和利用的发展方向导致对高效技术的需求不断增长,其中很大一部分与基于复杂氧化物的材料的应用有关,这些材料可作为燃料重整的高效催化剂、过选择膜、固体氧化物燃料电池和电解器的组件。这些材料通常以具有透辉石和萤石结构的氧化物或其衍生物为基础。另一方面,其他类别的材料由于其特殊的功能特性或突出的改进潜力,最近被认为是这些应用领域的有前途的材料。这些材料包括各种类型的稀土元素钨酸盐/钼酸盐、具有层状结构的钴和钡钴酸盐,以及其他材料,包括兰格斯岩、磁铌酸盐、swedenborgites 等,以及以它们为基础的复合材料。本研究综述了此类现代材料的结构、传输特性和性能。
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引用次数: 0
Recent advances in Co-based catalysts for enhanced hydrogen storage performance of MgH2: Mechanisms and strategies 用于提高 MgH2 储氢性能的 Co 基催化剂的最新进展:机理与策略
IF 8.1 2区 工程技术 Q1 CHEMISTRY, PHYSICAL Pub Date : 2024-11-12 DOI: 10.1016/j.ijhydene.2024.11.125
Quanhui Hou , Jinhui Wang , Yang Zhou , Peng Jiang , Yuting Li , Zhao Ding , Jigang Liu
Magnesium hydride (MgH2) has emerged as a promising candidate for solid-state hydrogen storage due to its high theoretical capacity, reversibility, and abundance. However, its practical application is hindered by thermodynamic stability and slow kinetics. This review comprehensively examines the recent progress in Co-based catalysts for improving the hydrogen storage properties of MgH2. We systematically analyze the effects of various Co-based catalysts, including Co monomers, oxides, alloys, and novel composites, on the dehydrogenation/rehydrogenation behavior of MgH2. The underlying mechanisms of catalytic enhancement are explored through experimental observations and theoretical calculations. We highlight the synergistic effects of multi-component catalysts and the role of nanostructuring in optimizing catalyst performance. Furthermore, we discuss the challenges and prospects for future development of Co-based catalysts in MgH2 systems, emphasizing the need for deeper mechanistic understanding and long-term cycling stability. This review provides valuable insights for rational design of highly efficient catalysts to advance MgH2-based hydrogen storage technologies towards practical applications.
氢化镁(MgH2)因其理论容量大、可逆性强和数量丰富,已成为固态储氢的理想候选材料。然而,其实际应用却受到热力学稳定性和缓慢动力学的阻碍。本综述全面探讨了最近在改善 MgH2 储氢性能的 Co 基催化剂方面取得的进展。我们系统分析了各种 Co 基催化剂(包括 Co 单体、氧化物、合金和新型复合材料)对 MgH2 脱氢/再加氢行为的影响。我们通过实验观察和理论计算探讨了催化增强的内在机制。我们强调了多组分催化剂的协同效应以及纳米结构在优化催化剂性能方面的作用。此外,我们还讨论了在 MgH2 体系中开发 Co 基催化剂所面临的挑战和前景,强调了深入了解机理和长期循环稳定性的必要性。本综述为合理设计高效催化剂提供了宝贵的见解,从而推动基于 MgH2 的储氢技术走向实际应用。
{"title":"Recent advances in Co-based catalysts for enhanced hydrogen storage performance of MgH2: Mechanisms and strategies","authors":"Quanhui Hou ,&nbsp;Jinhui Wang ,&nbsp;Yang Zhou ,&nbsp;Peng Jiang ,&nbsp;Yuting Li ,&nbsp;Zhao Ding ,&nbsp;Jigang Liu","doi":"10.1016/j.ijhydene.2024.11.125","DOIUrl":"10.1016/j.ijhydene.2024.11.125","url":null,"abstract":"<div><div>Magnesium hydride (MgH<sub>2</sub>) has emerged as a promising candidate for solid-state hydrogen storage due to its high theoretical capacity, reversibility, and abundance. However, its practical application is hindered by thermodynamic stability and slow kinetics. This review comprehensively examines the recent progress in Co-based catalysts for improving the hydrogen storage properties of MgH<sub>2</sub>. We systematically analyze the effects of various Co-based catalysts, including Co monomers, oxides, alloys, and novel composites, on the dehydrogenation/rehydrogenation behavior of MgH<sub>2</sub>. The underlying mechanisms of catalytic enhancement are explored through experimental observations and theoretical calculations. We highlight the synergistic effects of multi-component catalysts and the role of nanostructuring in optimizing catalyst performance. Furthermore, we discuss the challenges and prospects for future development of Co-based catalysts in MgH<sub>2</sub> systems, emphasizing the need for deeper mechanistic understanding and long-term cycling stability. This review provides valuable insights for rational design of highly efficient catalysts to advance MgH<sub>2</sub>-based hydrogen storage technologies towards practical applications.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"94 ","pages":"Pages 351-363"},"PeriodicalIF":8.1,"publicationDate":"2024-11-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142657200","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
A study of hydrogen trapping behaviors in Nb and V carbides in α-Fe matrix by first-principles calculations 通过第一原理计算研究α-铁基体中 Nb 和 V 碳化物的氢捕获行为
IF 8.1 2区 工程技术 Q1 CHEMISTRY, PHYSICAL Pub Date : 2024-11-12 DOI: 10.1016/j.ijhydene.2024.11.122
Yang He , Qihui Xia , Lei Ding , Yaojun Li , Zhiqiang Li , Xuan Zhang , Shaowei Jin
The introduction of nanosized carbides (NbC, TiC, VC, etc.) into a matrix is one of the most efficient approaches for improving the hydrogen embrittlement resistance of traditional high strength steels. In the present work, first-principles calculations were used to investigate the characteristics of hydrogen trapping at NbC/bcc-Fe and VC/bcc-Fe interfaces. Hydrogen atoms prefer to occupy the tri2-site in bulk NbC and VC lattices and perfect NbC and VC lattices cannot trap H atoms. H atoms can segregate at perfect NbC/Fe and VC/Fe interfaces, in which the solution energies of the H atoms at the NbC/Fe interfaces are lower. The carbon vacancies at the carbide/Fe interfaces can act as relatively deep hydrogen traps but are unfavorable for formation owing to their high formation energies. Other interstitial sites at interfaces containing carbon vacancies can trap H atoms more strongly than perfect interfaces. Compared with the NbC/Fe interface, it is more probable for H atoms to be trapped by high-density vacancies in the interior of VC carbides once H atoms obtain sufficient energy under certain conditions, eg. at high temperatures.
在基体中引入纳米碳化物(NbC、TiC、VC 等)是提高传统高强度钢抗氢脆性能的最有效方法之一。本研究利用第一性原理计算研究了 NbC/bcc-Fe 和 VC/bcc-Fe 界面的氢捕获特征。氢原子喜欢占据块状 NbC 和 VC 晶格中的三2 位,完美的 NbC 和 VC 晶格无法捕获氢原子。H 原子可以在完美的 NbC/Fe 和 VC/Fe 界面上分离,其中 NbC/Fe 界面上 H 原子的溶解能较低。碳化物/铁界面上的碳空位可作为相对较深的氢阱,但由于其形成能量较高,不利于形成氢阱。与完美界面相比,含有碳空位的界面上的其他间隙位点捕获氢原子的能力更强。与 NbC/Fe 界面相比,一旦 H 原子在高温等特定条件下获得足够的能量,则 H 原子更有可能被碳化 VC 内部的高密度空位捕获。
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International Journal of Hydrogen Energy
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