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Robust aerogel of two-dimensional composite microparticle of amorphous ruthenium-cobalt hydroxide and GO for hydrogen generation via NaBH4 hydrolysis 无定形氢氧化钌钴和 GO 的二维复合微粒气凝胶,用于通过 NaBH4 水解制氢
IF 8.1 2区 工程技术 Q1 CHEMISTRY, PHYSICAL Pub Date : 2024-07-02 DOI: 10.1016/j.ijhydene.2024.06.314
Wenzhuo Li , Chenchen Wang , Mengyi Wang , Lei Cheng , Lixian Sun , Puxuan Yan

Monolithic catalyst is very important for the further industrial application of hydrogen production via NaBH4 hydrolysis. Nowadays, the structural stability and catalytic performance of aerogel based monolithic catalysts still need to be further improved. Herein, the amorphous Ru–Co(OH)x@GO particles are synthesized by in-situ growth and transformation of ZIF-67 on the surface of GO, the hydrogen generation rate and activation energy via catalytic NaBH4 hydrolysis can reach 11,062 mL min−1 g−1 and 36.2 kJ mol−1, respectively. Meanwhile, the composite aerogel of Ru–Co(OH)x@GO, chitosan and carbonylated cellulose nanofiber is prepared by solution blending and freeze drying, and the hydrogen generation rate has 7680 mL min−1 g−1 (retained 69.4%) under the same amount of Ru–Co(OH)x@GO. Furthermore, after high speed catalytic hydrogen generation, the aerogel can still maintain its structural integrity, thus facilitating recovery and reuse, which is attributed to the co-structural coupling of carbonylated cellulose nanofiber and chitosan macromolecule to the skeleton. This work provides a convenient and controllable strategy for the development of monolithic catalysts.

整体催化剂对于通过 NaBH4 水解制氢的进一步工业应用非常重要。目前,气凝胶基整体催化剂的结构稳定性和催化性能仍有待进一步提高。本文通过ZIF-67在GO表面的原位生长和转化合成了无定形的Ru-Co(OH)x@GO颗粒,其催化NaBH4水解产氢速率和活化能分别达到11062 mL min-1 g-1和36.2 kJ mol-1。同时,通过溶液共混和冷冻干燥制备了 Ru-Co(OH)x@GO、壳聚糖和羰基化纤维素纳米纤维的复合气凝胶,在相同的 Ru-Co(OH)x@GO 用量下,制氢率为 7680 mL min-1 g-1(保留率为 69.4%)。此外,气凝胶在高速催化制氢后仍能保持结构的完整性,便于回收和再利用,这得益于羰基化纤维素纳米纤维和壳聚糖大分子与骨架的共结构偶联。这项工作为整体催化剂的开发提供了一种便捷、可控的策略。
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引用次数: 0
A semi-flexible polybenzimidazole with enhanced comprehensive performance for high-temperature proton exchange membrane fuel cells 用于高温质子交换膜燃料电池的综合性能更强的半柔性聚苯并咪唑
IF 8.1 2区 工程技术 Q1 CHEMISTRY, PHYSICAL Pub Date : 2024-07-02 DOI: 10.1016/j.ijhydene.2024.06.324
Yamei You , Xinyang Deng , Qian Liu , Yanjun Hou , Shoulei Miao

Although phosphoric acid-doped PBI holds great promise for application in high-temperature proton exchange membrane fuel cells, the stabilities of phosphoric acid-doped membranes are compromised due to the low absorption capacity of phosphoric acid, poor solubility and difficulty in processing. In this study, by introducing poly (5-phenyl-1H-1,2,3-triazole) monomers into the polybenzimidazole main chains, a semi-flexible polybenzimidazole (PBI-QP) was prepared. The mechanical properties of PBI-QP membranes were better than that of PBI membrane. The tensile strength of PBI-QP-20 reached to 130.9 MPa. Compared with PBI, the solubility of PBI-QP has improved significantly. PBI-QP can be easily dissolved in the solvents of DMF, DMSO and formic acid separately at room temperature. All the membranes exhibited super thermal stability. At 800 °C there is still 72% quantity of residue and the thermal stability of PBI-QP can meet the thermal stability requirements of HT-PEMFCs. The membranes of PBI-QP demonstrated high phosphoric acid absorption (ADL 10.5) and enhanced antioxidant properties. The proton conductivity is 64.3 mS∙cm−1 at 170 °C and the peak power density attains an impressive level of 573.6 mW cm−2 at 180 °C. The results indicate that the synthesized HT-PEMs exhibit excellent solubility and impressive peak power density, underscoring their substantial promise for utilization in HT-PEMs.

虽然掺磷酸的 PBI 在高温质子交换膜燃料电池中的应用前景广阔,但由于磷酸的吸收能力低、溶解性差和加工困难,掺磷酸膜的稳定性受到影响。本研究通过在聚苯并咪唑主链中引入聚(5-苯基-1H-1,2,3-三唑)单体,制备了一种半柔性聚苯并咪唑(PBI-QP)。PBI-QP 膜的机械性能优于 PBI 膜。PBI-QP-20 的拉伸强度达到 130.9 兆帕。与 PBI 相比,PBI-QP 的溶解度明显提高。在室温下,PBI-QP 可以很容易地分别溶解在 DMF、DMSO 和甲酸溶剂中。所有膜都具有超强的热稳定性。在 800 °C 时仍有 72% 的残留物,PBI-QP 的热稳定性可以满足 HT-PEMFC 的热稳定性要求。PBI-QP 膜表现出较高的磷酸吸收率(ADL 10.5)和更强的抗氧化性。质子电导率在 170 ℃ 时为 64.3 mS∙cm-1 ,峰值功率密度在 180 ℃ 时达到 573.6 mW cm-2 的惊人水平。结果表明,合成的 HT-PEMs 表现出优异的溶解性和惊人的峰值功率密度,突出了它们在 HT-PEMs 中应用的巨大前景。
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引用次数: 0
The impact of hydrogen injection pressure and timing on exhaust, mechanical vibration, and noise emissions in a CI engine fueled with hydrogen-diesel 氢气喷射压力和正时对以氢柴油为燃料的 CI 发动机的废气、机械振动和噪声排放的影响
IF 8.1 2区 工程技术 Q1 CHEMISTRY, PHYSICAL Pub Date : 2024-07-02 DOI: 10.1016/j.ijhydene.2024.06.356
Nurullah Gültekin , Halil Erdi Gülcan , Murat Ciniviz

The hydrogen-diesel dual-fuel mode is an efficient way of lowering exhaust emissions from compression-ignition engines. Along with exhaust emissions, mechanical vibration and noise emissions are also problems for these engines. In dual fuel mode, it is possible to reduce all emissions by using the appropriate injection strategy. In this study, different injection strategies were used in an engine with an ECU-controlled liquid and gas fuel system. In experiments, constant load (5 Nm), constant speed (1850 rpm), constant hydrogen energy ratio (12%), 4 different hydrogen injection pressures (1, 1.5, 2.0, and 2.5 Bar), and 5 different hydrogen injection starts (25, 35, 45, 55, and 65 °CA aTDC) were performed. In the study, exhaust, mechanical vibration, and noise emissions were recorded and analysed. When a few of the study's data were looked at, it was determined that CO2 emissions decreased by 33.4% and PM emissions by 40.7% at 25 °CA aTDC injection start and 2.5 bar injection pressure. Under the same experimental conditions, NO emissions increased by 8.7%, mechanical vibration emissions increased by 19.9%, and noise emissions increased by 2 dBA.

氢-柴油双燃料模式是降低压燃式发动机废气排放的有效方法。除了废气排放,机械振动和噪音排放也是这些发动机面临的问题。在双燃料模式下,采用适当的喷射策略可以减少所有排放。在这项研究中,我们在带有 ECU 控制的液体和气体燃料系统的发动机中使用了不同的喷射策略。在实验中,进行了恒定负载(5 牛米)、恒定转速(1850 转/分)、恒定氢能比(12%)、4 种不同的氢气喷射压力(1、1.5、2.0 和 2.5 巴)和 5 种不同的氢气喷射起始点(25、35、45、55 和 65 °CA aTDC)试验。研究记录并分析了废气、机械振动和噪音排放。对研究中的一些数据进行分析后发现,在 25 °CA aTDC 喷射起始点和 2.5 巴喷射压力下,二氧化碳排放量减少了 33.4%,可吸入颗粒物排放量减少了 40.7%。在相同的实验条件下,氮氧化物排放量增加了 8.7%,机械振动排放量增加了 19.9%,噪声排放量增加了 2 分贝。
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引用次数: 0
Techno-economic assessment of the Synthetic Natural Gas production using different electrolysis technologies and product applications 利用不同电解技术和产品应用生产合成天然气的技术经济评估
IF 8.1 2区 工程技术 Q1 CHEMISTRY, PHYSICAL Pub Date : 2024-07-02 DOI: 10.1016/j.ijhydene.2024.06.354
Maria Paula Novoa , Camilo Rengifo , Martha Cobo , Manuel Figueredo

Power to Methane (PtM) systems are considered an attractive alternative for power generation, renewable sources’ potential harnessing, and atmospheric carbon dioxide (CO2) utilization. This study analyzes the potential use of Synthetic Natural Gas (SNG) for electrical power generation or its direct injection into the currently available Natural Gas Transportation infrastructure. A simulation approach using Aspen Plus v14 software was employed to assess various PtM configurations. Six different systems were analyzed for methanation processes, utilizing three types of electrolysis systems: Alkaline (AE), Proton Exchange Membrane (PEME), and Solid Oxide (SOE). Two primary methane applications were considered: integrated into a combined cycle for power generation and a standalone gas treatment stage for grid injection. As a result, the PEME-based system showed the highest generated-to-fed power ratio, larger than SOE (1.45% higher) and AE (20.66% higher). In addition, PEME technology reports the largest generation of SNG per power supply, exceeding 3.4% and 16.4% of those of SOE and AE, respectively. However, the SOE technology showed a larger efficiency than PEME technology by 8.2% and a PtM efficiency larger than PEME by 12.4%. Fixed capital investment for the PtM systems is around 8.6 and 13.9 million USD$, and their total earnings are between −8.2 and 20.9 thousand USD$ a year, depending on the electrolysis technology, methane application, and carbon credits scenario. According to these results, the PEME-based system is the most suitable option regarding technical and economic criteria.

甲烷发电(PtM)系统被认为是发电、利用可再生资源潜力和利用大气二氧化碳(CO2)的一种有吸引力的替代方法。本研究分析了合成天然气 (SNG) 用于发电或直接注入现有天然气运输基础设施的潜力。使用 Aspen Plus v14 软件进行模拟,以评估各种 PtM 配置。利用三种类型的电解系统对甲烷化过程的六种不同系统进行了分析:碱性 (AE)、质子交换膜 (PEME) 和固体氧化物 (SOE)。考虑了两种主要的甲烷应用:集成到联合循环中用于发电,以及独立的气体处理阶段用于电网注入。结果,基于 PEME 的系统显示出最高的发电与进气功率比,高于 SOE(高 1.45%)和 AE(高 20.66%)。此外,PEME 技术的单位供电 SNG 发电量最大,分别超过 SOE 和 AE 的 3.4% 和 16.4%。然而,SOE 技术的效率比 PEME 技术高 8.2%,而 PtM 的效率比 PEME 高 12.4%。根据电解技术、甲烷应用和碳信用情景的不同,铂金属系统的固定资本投资约为 860 万至 1390 万美元,总收益为每年-820 万至 2090 万美元。根据这些结果,就技术和经济标准而言,基于 PEME 的系统是最合适的选择。
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引用次数: 0
High-temperature hydrogen sensor based on MOFs-derived Mn-doped In2O3 hollow nanotubes 基于 MOFs 衍生的掺锰 In2O3 中空纳米管的高温氢传感器
IF 8.1 2区 工程技术 Q1 CHEMISTRY, PHYSICAL Pub Date : 2024-07-02 DOI: 10.1016/j.ijhydene.2024.06.371
Cong Qin , Zhanxiang Wei , Xiaoyan Zhao , Jianliang Cao , Yan Wang

Developing high-temperature hydrogen (H2) sensors with fast response speed is urgently demanded in harsh application environments, especially for chemical industries and the aerospace field. Herein, we have reported a facile strategy to synthesize Mn-doped In2O3 hollow nanotubes (Mn-In2O3) by solvothermal and annealing route using In-MOFs as precursors. The experimental results indicate that the obtained products possess hollow nanotube structures with plenty of holes and Mn doping greatly boosts the gas-sensing performance of In2O3-based sensors towards H2. In particular, the responses of 3 mol% Mn-In2O3 are 2.57 and 2.3 towards 50 ppm H2 at 360 °C and 400 °C, respectively, which are much higher than those of bare In2O3 hollow nanotubes. Besides, the sensor based on 3 mol% Mn-In2O3 exhibits a low limit of detection (25 ppb), excellent selectivity, rapid response/recovery speed (∼4 and ∼15 s@20 ppm), and excellent stability at high temperature (360 °C). Such enhancement of H2-sensing properties can be put down to the hollow structure derived from In-MOFs and abundant oxygen vacancy defects produced by Mn doping. The Mn-In2O3 hollow nanotubes could be regarded as promising materials for selectively detecting H2 in a wide range of concentrations.

在恶劣的应用环境中,尤其是在化学工业和航空航天领域,迫切需要开发响应速度快的高温氢气(H2)传感器。在此,我们报告了一种以 In-MOFs 为前驱体,通过溶热和退火路线合成掺锰 In2O3 中空纳米管(Mn-In2O3)的简便策略。实验结果表明,获得的产品具有多孔空心纳米管结构,掺杂锰大大提高了基于 In2O3 的传感器对 H2 的气体传感性能。其中,3 mol% Mn-In2O3 在 360 ℃ 和 400 ℃ 下对 50 ppm H2 的响应分别为 2.57 和 2.3,远高于裸 In2O3 中空纳米管。此外,基于 3 mol% Mn-In2O3 的传感器还具有检测限低(25 ppb)、选择性好、响应/恢复速度快(∼4 和 ∼15 s@20 ppm)以及在高温(360 °C)下稳定性好等特点。这种 H2 传感特性的增强可归因于 In-MOFs 的中空结构和掺杂锰后产生的大量氧空位缺陷。Mn-In2O3 中空纳米管可被视为在广泛浓度范围内选择性检测 H2 的理想材料。
{"title":"High-temperature hydrogen sensor based on MOFs-derived Mn-doped In2O3 hollow nanotubes","authors":"Cong Qin ,&nbsp;Zhanxiang Wei ,&nbsp;Xiaoyan Zhao ,&nbsp;Jianliang Cao ,&nbsp;Yan Wang","doi":"10.1016/j.ijhydene.2024.06.371","DOIUrl":"https://doi.org/10.1016/j.ijhydene.2024.06.371","url":null,"abstract":"<div><p>Developing high-temperature hydrogen (H<sub>2</sub>) sensors with fast response speed is urgently demanded in harsh application environments, especially for chemical industries and the aerospace field. Herein, we have reported a facile strategy to synthesize Mn-doped In<sub>2</sub>O<sub>3</sub> hollow nanotubes (Mn-In<sub>2</sub>O<sub>3</sub>) by solvothermal and annealing route using In-MOFs as precursors. The experimental results indicate that the obtained products possess hollow nanotube structures with plenty of holes and Mn doping greatly boosts the gas-sensing performance of In<sub>2</sub>O<sub>3</sub>-based sensors towards H<sub>2</sub>. In particular, the responses of 3 mol% Mn-In<sub>2</sub>O<sub>3</sub> are 2.57 and 2.3 towards 50 ppm H<sub>2</sub> at 360 °C and 400 °C, respectively, which are much higher than those of bare In<sub>2</sub>O<sub>3</sub> hollow nanotubes. Besides, the sensor based on 3 mol% Mn-In<sub>2</sub>O<sub>3</sub> exhibits a low limit of detection (25 ppb), excellent selectivity, rapid response/recovery speed (∼4 and ∼15 s@20 ppm), and excellent stability at high temperature (360 °C). Such enhancement of H<sub>2</sub>-sensing properties can be put down to the hollow structure derived from In-MOFs and abundant oxygen vacancy defects produced by Mn doping. The Mn-In<sub>2</sub>O<sub>3</sub> hollow nanotubes could be regarded as promising materials for selectively detecting H<sub>2</sub> in a wide range of concentrations.</p></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":null,"pages":null},"PeriodicalIF":8.1,"publicationDate":"2024-07-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141486701","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
Catalytic mechanism of Nb2O5 and Ni on hydrogen storage properties of CeMg12-type alloy for automatic weather station emergency fuel cell Nb2O5 和 Ni 对自动气象站应急燃料电池 CeMg12 型合金储氢性能的催化机制
IF 8.1 2区 工程技术 Q1 CHEMISTRY, PHYSICAL Pub Date : 2024-07-02 DOI: 10.1016/j.ijhydene.2024.06.401
Hu Feng , Zhang Hui , Xia Ting , Xu Jin , Zhao Xin , Li Yongzhi , Zhang Yanghuan

In this paper, CeMg12/Ni/Nb2O5 was prepared by mechanical ball milling technology for the sake of probing into the impact of Ni and Nb2O5 on microstructure and hydrogen sorption properties of alloys. The microstructure research results indicate that adding Nb2O5 can promote the formation of nanocrystal structure; through ball milling the Nb2O5 dispersed on the surface of alloy particles uniformly enhances the surface activity of the alloy and improves the hydrogen absorption and releasing kinetics of the alloy. The research on hydrogen absorption performance shows that the addition of Nb2O5 can significantly increase the hydrogen release platform pressure of the alloy hydride, the enthalpy value of hydrogen releasing process drops from 74.82 kJ/mol to 71.07 kJ/mol when the content of Nb2O5 is increased from 0 wt% to 9 wt%, the above qualitative and quantitative discussion further proves that Nb2O5 is beneficial for amending the thermodynamic stability of alloy hydride. Besides, adding Nb2O5 can remarkably reduce the hydrogen dissociation activation energy of experimental alloy hydride, ameliorating the dynamic performances of hydrogen release. The alloy with 9 wt% Nb2O5 has the smallest activation energy and the best performances of hydrogen release.

本文采用机械球磨技术制备了 CeMg12/Ni/Nb2O5,旨在探究 Ni 和 Nb2O5 对合金微观结构和吸氢性能的影响。微观结构研究结果表明,加入 Nb2O5 能促进纳米晶体结构的形成;通过球磨,分散在合金颗粒表面的 Nb2O5 均匀地提高了合金的表面活性,改善了合金的吸氢和释氢动力学性能。对吸氢性能的研究表明,Nb2O5 的加入能显著提高合金氢化物的氢释放平台压力,当 Nb2O5 的含量从 0 wt% 增加到 9 wt% 时,氢释放过程的焓值从 74.82 kJ/mol 下降到 71.07 kJ/mol,以上定性和定量的讨论进一步证明了 Nb2O5 有利于改善合金氢化物的热力学稳定性。此外,添加 Nb2O5 还能显著降低实验合金氢化物的氢离解活化能,改善氢释放的动态性能。含 9 wt% Nb2O5 的合金活化能最小,释氢性能最好。
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引用次数: 0
Extended kalman filter for quantifying hydrogen leaks in PEM fuel cells by estimating oxygen concentration 通过估算氧气浓度量化 PEM 燃料电池氢气泄漏的扩展卡尔曼滤波器
IF 8.1 2区 工程技术 Q1 CHEMISTRY, PHYSICAL Pub Date : 2024-07-02 DOI: 10.1016/j.ijhydene.2024.06.094
Alireza Beigi , Wesley Romey , Krishna Vijayaraghavan

Hydrogen transfer leaks are one of the most important life-limiting faults in polymer electrolyte membrane fuel cells (PEMFCs). Hydrogen transfer leaks result in a reduction in the amount of oxygen available in the cathode (air) channel, with large leaks resulting in oxygen starvation and hydrogen emission. This paper aims to develop an adaptive extended Kalman filter (EKF) to estimate the unknown oxygen concentration, which is then used to infer hydrogen leaks. To this end, the paper first develops the lumped model of the fuel cell from a pseudo-2D model of a fuel cell. Next, a (non-adaptive) EKF is developed to estimate the fuel cell states under both normal and oxygen-starved conditions. The adaptive EKF is then implemented by adding the unknown hydrogen leak to the list of estimated states. Finally, the paper demonstrates the efficacy of the proposed adaptive EKF by using it to accurately estimate unknown hydrogen leaks in a high-fidelity virtual fuel cell under excessively noisy conditions.

氢传递泄漏是限制聚合物电解质膜燃料电池(PEMFC)寿命的最重要故障之一。氢传递泄漏会导致阴极(空气)通道中可用的氧气量减少,大量泄漏会导致氧气匮乏和氢气排放。本文旨在开发一种自适应扩展卡尔曼滤波器 (EKF),用于估计未知的氧气浓度,然后利用它来推断氢气泄漏。为此,本文首先从燃料电池的伪二维模型出发,建立了燃料电池的块状模型。然后,开发一个(非自适应)EKF,用于估计正常和缺氧条件下的燃料电池状态。然后,通过将未知的氢泄漏添加到估计状态列表中,实现自适应 EKF。最后,本文展示了所提出的自适应 EKF 的功效,在噪声过大的条件下,用它准确估计了高保真虚拟燃料电池中的未知氢泄漏。
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引用次数: 0
Machine learning solutions for enhanced performance in plant-based microbial fuel cells 提高植物微生物燃料电池性能的机器学习解决方案
IF 8.1 2区 工程技术 Q1 CHEMISTRY, PHYSICAL Pub Date : 2024-07-02 DOI: 10.1016/j.ijhydene.2024.06.417
Tuğba Gürbüz , M. Erdem Günay , N. Alper Tapan

It is well known that numerous operational, material and design variables act upon the performance of a plant-based microbial fuel cell which is an emerging sustainable and versatile energy device like hydrogen fuel cells. However, due to the high complexity of these bioelectrochemical systems, new solutions are required to optimize performance and uncover hidden relationships between dominant fuel cell variables. For this purpose, a database of 229 observations was created for plant-based microbial fuel cells (PMFCs) with 159 descriptor variables and a target variable (maximum power density) based on experimental results from 51 recent publications. Then, some machine learning solutions like principal component analysis (PCA), classification trees and SHapley Additive exPlanations (SHAP) analysis were applied. The PCA indicated mainly two routes involving low and high chemical oxygen demand (COD) towards high maximum power density which consists of the plant family, wastewater type, support media, construction design, separator type, anode and cathode electrodes and light source. SHAP analysis revealed that the most important factors for high performance are operating temperature, natural light, soil support medium, and constructed wetland design. Finally, the classification tree successfully demonstrated nine routes towards high maximum power density which exclude the use of graphite plate cathode electrodes.

众所周知,许多操作、材料和设计变量都会影响植物微生物燃料电池的性能,而植物微生物燃料电池与氢燃料电池一样,是一种新兴的可持续多功能能源装置。然而,由于这些生物电化学系统的高度复杂性,需要新的解决方案来优化性能并揭示燃料电池主要变量之间的隐藏关系。为此,我们根据最近 51 篇论文的实验结果,为植物微生物燃料电池(PMFCs)创建了一个包含 229 个观察结果的数据库,其中有 159 个描述变量和一个目标变量(最大功率密度)。然后,应用了一些机器学习解决方案,如主成分分析(PCA)、分类树和 SHapley Additive exPlanations(SHAP)分析。主成分分析表明,实现高最大功率密度主要有两种途径,即低化学需氧量(COD)和高化学需氧量(COD),这两种途径包括工厂类型、废水类型、支持介质、结构设计、分离器类型、阳极和阴极电极以及光源。SHAP 分析表明,高性能的最重要因素是操作温度、自然光、土壤支持介质和建造的湿地设计。最后,分类树成功地展示了实现高最大功率密度的九种途径,其中不包括使用石墨板阴极电极。
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引用次数: 0
Study of alkaline metals hydrides RbXH3 (X = Mg/Ca/Sr/Ba) for green energy and hydrogen storage applications 研究碱金属氢化物 RbXH3(X = Mg/Ca/Sr/Ba)在绿色能源和储氢方面的应用
IF 8.1 2区 工程技术 Q1 CHEMISTRY, PHYSICAL Pub Date : 2024-07-02 DOI: 10.1016/j.ijhydene.2024.06.373
Murefah mana Al-Anazy , Ghulam M. Mustafa , Omar Zayed , Bisma Younas , Tariq M. Al-Daraghmeh , Noura Dawas Alkhaldi , Ayman S. Alofi , Afaf Khadr Alqorashi , Imen kebaili , Q. Mahmood

The potential of hydrogen as an energy source has positioned hydrogen storage as a prominent research domain in the current era. Innovative perovskite compounds have emerged as a focal point for investigating hydrogen storage applications. In this study, we have investigated the RbXH3 (X = Mg/Ca/Sr/Ba) perovskite hydrides by density functional theory (DFT). Our exploration encompasses the analysis of electronic structures, mechanical stability, elastic properties, and optical and thermoelectric response. The cubic crystal structures of RbXH3 are revealed, with lattice constants of 4.13, 4.54, 4.82, and 5.17 Å for X = Mg, Ca, Sr, and Ba, respectively. Electronic structure calculations indicate ionic bonding with a wide bandgap reduced with increasing size of X. Mechanical stability, essential for meeting the Born stability criterion, is scrutinized, whereas Pugh criteria suggest a ductile and hard nature for these materials. Thermoelectric characteristics regarding electrical and thermal conductivity, Seebeck coefficient, and power factors are elaborated. The figure of merit emphasizes their suitability for thermoelectric devices. The Gravimetric ratios indicate the hydrogen storage capability, potentially contributing to various transportation and power applications.

氢作为能源的潜力使储氢成为当今时代的一个重要研究领域。创新的包晶化合物已成为研究储氢应用的焦点。在本研究中,我们通过密度泛函理论(DFT)研究了 RbXH3(X = Mg/Ca/Sr/Ba)包晶氢化物。我们的研究涵盖了对电子结构、机械稳定性、弹性特性以及光学和热电响应的分析。研究揭示了 RbXH3 的立方晶体结构,X = Mg、Ca、Sr 和 Ba 的晶格常数分别为 4.13、4.54、4.82 和 5.17 Å。电子结构计算表明,离子键具有宽带隙,并随着 X 的增大而减小。机械稳定性是满足博恩稳定性标准的关键,而普氏标准则表明这些材料具有韧性和硬度。此外,还阐述了有关导电性和导热性、塞贝克系数和功率因数的热电特性。优点系数强调了这些材料对热电设备的适用性。重力比表明这些材料具有储氢能力,可用于各种运输和电力应用。
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引用次数: 0
Prospects for implementation of hydrogen filling stations in the Russian Federation 在俄罗斯联邦建立加氢站的前景
IF 8.1 2区 工程技术 Q1 CHEMISTRY, PHYSICAL Pub Date : 2024-07-02 DOI: 10.1016/j.ijhydene.2024.05.316
G.E. Marin, A.V. Titov, A.R. Akhmetshin

The economy of the Russian Federation is aimed at developing a fuel and energy complex that uses environmentally friendly energy, which corresponds to the global trend of reducing emissions of harmful substances into the atmosphere during the production of various types of products. Decarbonization is one of the biggest challenges of modern society. To solve this problem, renewable energy sources are being actively introduced, as well as various types of fuel, the combustion of which produces a minimum content of emissions. Among them, we can highlight the fuel that has the greatest prospects; this is hydrogen, a fuel with the highest energy content, reaching a value of 120 MJ/kg. Unlike renewable energy sources, the practice of which in a number of countries has caused a crisis in the reliability of the energy system, hydrogen technologies make it possible to achieve the task of decarbonization with minimal impact on the environment at all stages: production, transportation, combustion, without compromising reliability. The main problems of mass introduction of hydrogen technologies are the difficulty in obtaining, transporting and storing hydrogen fuel. Following the signing of hydrogen strategies, most developed countries are considering using hydrogen as a vehicle fuel. Hydrogen transport, unlike electric transport, is not limited by range, but the high cost of hydrogen transport and the lack of refueling infrastructure hinder the development of this type of technology. Currently, the most common fuel cell system is FCV (fuel cell vehicle).

The article presents the concept of hydrogen refueling, taking into account different technologies for the production of hydrogen fuel. Hydrogen must be stored at a filling station at a pressure of 300–800 bar, in a gaseous or liquid state. An analysis of the cost of construction and subsequent operation of hydrogen filling stations revealed criteria for the economic efficiency of their implementation depending on the amount of fuel consumed and storage methods.

俄罗斯联邦经济的目标是发展使用环保能源的燃料和能源综合体,这符合在生产各类产品过程中减少向大气排放有害物质的全球趋势。去碳化是现代社会面临的最大挑战之一。为了解决这个问题,我们正在积极引进可再生能源以及各种燃料,这些燃料燃烧时产生的排放物含量最低。其中,最有发展前景的燃料是氢气,这是一种能量含量最高的燃料,达到 120 兆焦耳/千克。在一些国家,可再生能源的使用已经造成了能源系统可靠性的危机,而氢技术则不同,它可以在生产、运输、燃烧等各个环节实现去碳化的任务,对环境的影响也最小,同时又不影响可靠性。大规模引进氢技术的主要问题是难以获得、运输和储存氢燃料。在氢战略签署之后,大多数发达国家都在考虑使用氢作为汽车燃料。氢能运输与电动运输不同,不受续航里程的限制,但氢能运输的高成本和加氢基础设施的缺乏阻碍了这类技术的发展。目前,最常见的燃料电池系统是 FCV(燃料电池汽车)。文章介绍了氢燃料加注的概念,同时考虑到氢燃料的不同生产技术。氢必须以气态或液态储存在压力为 300-800 巴的加氢站。对加氢站的建设和后续运营成本进行的分析表明,根据燃料消耗量和储存方法,实施加氢站的经济效益标准。
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International Journal of Hydrogen Energy
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