Pub Date : 2024-09-29DOI: 10.1016/j.ijhydene.2024.09.340
Despite the number of works on the techno-economics of offshore green hydrogen production, there is a lack of research on the design of floating platforms to concomitantly support hydrogen production facilities and wind power generation equipment. Indeed, previous studies on offshore decentralised configuration for hydrogen production, implicitly assume that a floating platform designed for wind power generation (FOWT) can be also suitable as a floating wind hydrogen system (FWHS). This work proposes a novel design for an offshore decentralised FWHS, and analyses the effects of the integration of the hydrogen facilities on the platform's dynamics and how this in turn affects the performances of the wind turbine and the hydrogen equipment. Our findings indicate that despite the reduction in platform's stability, the performance of the wind turbine is barely affected. Regarding the hydrogen system, our results aim at contributing to further assessment and design of this equipment for offshore conditions.
{"title":"Design considerations and preliminary hydrodynamic analysis of an offshore decentralised floating wind-hydrogen system","authors":"","doi":"10.1016/j.ijhydene.2024.09.340","DOIUrl":"10.1016/j.ijhydene.2024.09.340","url":null,"abstract":"<div><div>Despite the number of works on the techno-economics of offshore green hydrogen production, there is a lack of research on the design of floating platforms to concomitantly support hydrogen production facilities and wind power generation equipment. Indeed, previous studies on offshore decentralised configuration for hydrogen production, implicitly assume that a floating platform designed for wind power generation (FOWT) can be also suitable as a floating wind hydrogen system (FWHS). This work proposes a novel design for an offshore decentralised FWHS, and analyses the effects of the integration of the hydrogen facilities on the platform's dynamics and how this in turn affects the performances of the wind turbine and the hydrogen equipment. Our findings indicate that despite the reduction in platform's stability, the performance of the wind turbine is barely affected. Regarding the hydrogen system, our results aim at contributing to further assessment and design of this equipment for offshore conditions.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":null,"pages":null},"PeriodicalIF":8.1,"publicationDate":"2024-09-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142357246","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-09-29DOI: 10.1016/j.ijhydene.2024.09.227
Faults in the various electrical and mechanical components of a fuel cell system can affect system reliability and durability. In this study, machine learning was used to accurately diagnose 18 faults in a proton exchange membrane fuel cell system. These faults included those in the thermal management system, first cooling line, second cooling line, air supply system, and water management system. Among the random forest, support vector machine, extreme gradient boosting, light gradient boosting machine, and deep neural network algorithms, the deep neural network model exhibited the highest accuracy in model training. Before diagnosing the 18 faults, a pipeline scenario was introduced to address the data imbalance between normal and fault data and to distinguish between normal and fault conditions. A state-based data distribution method proposed to mitigate data imbalance among fault states achieved an F1-score of 0.987 (accuracy of 98.4%) and 0.942 (accuracy of 94.2%) for fault detection and diagnosis, respectively. Misdiagnosed cases were analyzed by considering the physical characteristics of the system. Additionally, a study on training strategies, prediction of data for operating conditions not included in the training process, for designing datasets for machine learning models revealed an F1-score greater than 0.9. This result showed the generality of the model and provided a reference for designing efficient training datasets based on operating conditions.
{"title":"Machine learning-based fault diagnosis for various steady conditions of proton exchange membrane fuel cell systems","authors":"","doi":"10.1016/j.ijhydene.2024.09.227","DOIUrl":"10.1016/j.ijhydene.2024.09.227","url":null,"abstract":"<div><div>Faults in the various electrical and mechanical components of a fuel cell system can affect system reliability and durability. In this study, machine learning was used to accurately diagnose 18 faults in a proton exchange membrane fuel cell system. These faults included those in the thermal management system, first cooling line, second cooling line, air supply system, and water management system. Among the random forest, support vector machine, extreme gradient boosting, light gradient boosting machine, and deep neural network algorithms, the deep neural network model exhibited the highest accuracy in model training. Before diagnosing the 18 faults, a pipeline scenario was introduced to address the data imbalance between normal and fault data and to distinguish between normal and fault conditions. A state-based data distribution method proposed to mitigate data imbalance among fault states achieved an F1-score of 0.987 (accuracy of 98.4%) and 0.942 (accuracy of 94.2%) for fault detection and diagnosis, respectively. Misdiagnosed cases were analyzed by considering the physical characteristics of the system. Additionally, a study on training strategies, prediction of data for operating conditions not included in the training process, for designing datasets for machine learning models revealed an F1-score greater than 0.9. This result showed the generality of the model and provided a reference for designing efficient training datasets based on operating conditions.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":null,"pages":null},"PeriodicalIF":8.1,"publicationDate":"2024-09-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142357139","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}
Pub Date : 2024-09-29DOI: 10.1016/j.ijhydene.2024.09.346
Hydrogen is a renewable and environmentally friendly energy carrier and is considered a viable alternative to fossil fuels. Consequently, developing electrodes with excellent hydrogen evolution electrocatalysis is a top priority in research. However, the use of flat electrodes as cathode substrates by most researchers limits the electrocatalytic active area of the prepared electrode. To address this issue, it is essential to prepare a micro-nano structure on a cathode substrate before electrodeposition. This study introduced a novel Ni nanocone/Grid electrode, obtained through a combined laser-electrodeposition process to investigate its electrocatalytic activity and stability for the hydrogen evolution reaction (HER). Various techniques, including linear sweep voltammetry (LSV), electrochemical impedance spectra (EIS), cyclic voltammetry (CV), and chronopotentiometry (CP) in 1 M KOH solution, were employed to assess the HER electrocatalytic performance of the Ni nanocone/Grid electrodes. The experimental results demonstrated that the electrodes could achieve current densities of -10, -20, and -100 mA/cm2 with corresponding overpotentials of -281, -308, and -390 mV, respectively. Additionally, the Tafel slope of these electrodes was found to be only -82.05 mV/dec. The enhanced catalytic performance of the electrode was attributed to the synergistic effect of the grid-like and nanocone structures, which significantly increased the electrocatalytically active area and improved surface hydrophilicity, thereby boosting electrocatalytic performance. The simplicity of the preparation method and the exceptional performance of the electrode provide a promising new avenue for future research on HER electrocatalysts.
氢是一种可再生的环保能源载体，被认为是化石燃料的可行替代品。因此，开发具有优异氢进化电催化性能的电极是研究工作的重中之重。然而，大多数研究人员使用平板电极作为阴极基底，限制了所制备电极的电催化活性面积。为解决这一问题，必须在电沉积前在阴极基底上制备微纳结构。本研究介绍了一种新型镍纳米锥/栅电极，该电极是通过激光-电沉积联合工艺获得的，目的是研究其在氢进化反应（HER）中的电催化活性和稳定性。实验采用了多种技术，包括线性扫频伏安法（LSV）、电化学阻抗谱（EIS）、循环伏安法（CV）和 1 M KOH 溶液中的时变电位计（CP），以评估镍纳米锥/栅电极的氢进化反应电催化性能。实验结果表明，电极的电流密度分别为 -10、-20 和 -100 mA/cm2，相应的过电位分别为 -281、-308 和 -390 mV。此外，这些电极的塔菲尔斜率仅为 -82.05 mV/dec。电极催化性能的提高归功于网格状结构和纳米锥结构的协同效应，它们显著增加了电催化活性面积，改善了表面亲水性，从而提高了电催化性能。该电极的制备方法简单、性能优异，为未来 HER 电催化剂的研究提供了一条前景广阔的新途径。
{"title":"Preparation of Ni nanocone/Grid electrodes by laser-electrodeposition combined process as an efficient and stable electrocatalyst for hydrogen evolution reaction","authors":"","doi":"10.1016/j.ijhydene.2024.09.346","DOIUrl":"10.1016/j.ijhydene.2024.09.346","url":null,"abstract":"<div><div>Hydrogen is a renewable and environmentally friendly energy carrier and is considered a viable alternative to fossil fuels. Consequently, developing electrodes with excellent hydrogen evolution electrocatalysis is a top priority in research. However, the use of flat electrodes as cathode substrates by most researchers limits the electrocatalytic active area of the prepared electrode. To address this issue, it is essential to prepare a micro-nano structure on a cathode substrate before electrodeposition. This study introduced a novel Ni nanocone/Grid electrode, obtained through a combined laser-electrodeposition process to investigate its electrocatalytic activity and stability for the hydrogen evolution reaction (HER). Various techniques, including linear sweep voltammetry (LSV), electrochemical impedance spectra (EIS), cyclic voltammetry (CV), and chronopotentiometry (CP) in 1 M KOH solution, were employed to assess the HER electrocatalytic performance of the Ni nanocone/Grid electrodes. The experimental results demonstrated that the electrodes could achieve current densities of -10, -20, and -100 mA/cm2 with corresponding overpotentials of -281, -308, and -390 mV, respectively. Additionally, the Tafel slope of these electrodes was found to be only -82.05 mV/dec. The enhanced catalytic performance of the electrode was attributed to the synergistic effect of the grid-like and nanocone structures, which significantly increased the electrocatalytically active area and improved surface hydrophilicity, thereby boosting electrocatalytic performance. The simplicity of the preparation method and the exceptional performance of the electrode provide a promising new avenue for future research on HER electrocatalysts.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":null,"pages":null},"PeriodicalIF":8.1,"publicationDate":"2024-09-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142357256","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}
Pub Date : 2024-09-28DOI: 10.1016/j.ijhydene.2024.09.353
Aluminum air batteries have great potential as a state-of-the-art energy storage device due to their high capacity, energy density and fascinating safety. However, the disturbing hydrogen evolution reaction (HER) of the Al anode increase the gap between practical application and theoretical level. Electrolyte engineering with organic additives has been the spotlight to address the problem of HER. The polar functional group of organic molecules could bound with the water via the hydrogen bond to drop the activity of water. Unfortunately, the basic physicochemical properties of electrolyte would be deteriorated due to the organic matter, which has a negative impact on the electrochemical performance of batteries. Herein, an inorganic additive was adopted to regulate the hydrogen bond network and anode interface. The activity of H2O could be obviously suppressed by the stronger three-center-four-electron hydrogen bonds bridged by fluoride ions. And the water molecules are kept away from the anode surface due to the protective layer caused by the adsorption of fluoride ions. The HER could be greatly inhibited by both pathways, which reaches an inhibition efficiency of 55% in the electrolyte with 5 M KF. Correspondingly, the Al air battery exhibits a high discharge specific capacity of 1552.8 mAh g−1 and an energy density of 1829.51 Wh kg−1 at a current density of 25 mA cm−2. This work showcases a promising inorganic additive to suppress the HER for high-performance Al air battery.
铝空气电池具有高容量、高能量密度和令人着迷的安全性，因此作为最先进的储能设备具有巨大潜力。然而，铝阳极的氢演化反应（HER）干扰加大了实际应用与理论水平之间的差距。使用有机添加剂的电解质工程一直是解决 HER 问题的焦点。有机分子的极性官能团可以通过氢键与水结合，从而降低水的活性。遗憾的是，有机物会导致电解质的基本理化性质恶化，从而对电池的电化学性能产生负面影响。为此，我们采用了一种无机添加剂来调节氢键网络和阳极界面。通过氟离子桥接更强的三中心四电子氢键，可以明显抑制 H2O 的活性。同时，由于氟离子吸附形成的保护层，水分子被阻挡在阳极表面之外。这两种途径都能极大地抑制 HER，在含有 5 M KF 的电解液中，抑制效率达到 55%。相应地，在电流密度为 25 mA cm-2 时，铝空气电池显示出 1552.8 mAh g-1 的高放电比容量和 1829.51 Wh kg-1 的能量密度。这项研究为高性能铝空气电池提供了一种抑制 HER 的无机添加剂。
{"title":"Three-center-four-electron hydrogen bond bridged by fluorine enables advanced electrolyte for aluminum air batteries","authors":"","doi":"10.1016/j.ijhydene.2024.09.353","DOIUrl":"10.1016/j.ijhydene.2024.09.353","url":null,"abstract":"<div><div>Aluminum air batteries have great potential as a state-of-the-art energy storage device due to their high capacity, energy density and fascinating safety. However, the disturbing hydrogen evolution reaction (HER) of the Al anode increase the gap between practical application and theoretical level. Electrolyte engineering with organic additives has been the spotlight to address the problem of HER. The polar functional group of organic molecules could bound with the water via the hydrogen bond to drop the activity of water. Unfortunately, the basic physicochemical properties of electrolyte would be deteriorated due to the organic matter, which has a negative impact on the electrochemical performance of batteries. Herein, an inorganic additive was adopted to regulate the hydrogen bond network and anode interface. The activity of H<sub>2</sub>O could be obviously suppressed by the stronger three-center-four-electron hydrogen bonds bridged by fluoride ions. And the water molecules are kept away from the anode surface due to the protective layer caused by the adsorption of fluoride ions. The HER could be greatly inhibited by both pathways, which reaches an inhibition efficiency of 55% in the electrolyte with 5 M KF. Correspondingly, the Al air battery exhibits a high discharge specific capacity of 1552.8 mAh g<sup>−1</sup> and an energy density of 1829.51 Wh kg<sup>−1</sup> at a current density of 25 mA cm<sup>−2</sup>. This work showcases a promising inorganic additive to suppress the HER for high-performance Al air battery.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":null,"pages":null},"PeriodicalIF":8.1,"publicationDate":"2024-09-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142357138","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}
Pub Date : 2024-09-28DOI: 10.1016/j.ijhydene.2024.09.284
Creating innovative catalysts utilizing nonprecious metals for the electrocatalytic hydrogen evolution reaction (HER) poses a significant difficulty. We present a cobaloxime (Cox) complex having pyridine (2-Cox) and tetrafluorophenyl-thio-pyridine (4-Cox) functional groups, which contains a 4,4-Difluoro-4-bora-3a,4a-diaza-s-indacene (BODIPY) moiety. This combination serves as a catalyst for proton reduction and is immobilized onto reduced graphene oxide (rGO) by π–π stacking between the cobaloxime complex and rGO. Moreover, the unique complex's structures were determined through the application of ultraviolet–visible spectroscopy (UV–Vis), Fourier Transform Infrared spectroscopy (FT-IR), X-ray diffraction spectroscopy (XRD), and scanning electron microscopy (SEM). The electrocatalytic activity of the two rGO/2-Cox and rGO/4-Cox electrodes towards hydrogen (H2) were examined under both alkaline and acidic conditions. The cobaloxime-modified rGO electrodes demonstrate superior electrocatalytic performance for the HER under acidic conditions compared to alkaline conditions. The overpotential at a current density of 10 mA cm−2 for rGO/2-Cox in 0.5 M H2SO4 is −0.342 V, which is notably lower than the overpotential of rGO/4-Cox (−0.496 V). The Tafel slope for the rGO/2-Cox electrode in a 0.5 M H2SO4 solution is 111 mV.dec−1, but for the rGO/4-Cox electrode it is 156 mVdec−1. This discrepancy suggests that the rGO/2-Cox electrode demonstrates better performance in the HER compared to the rGO/4-Cox electrode.
利用非贵金属为电催化氢进化反应（HER）制造创新催化剂是一项重大难题。我们提出了一种具有吡啶（2-Cox）和四氟苯基硫代吡啶（4-Cox）官能团的钴肟（Cox）复合物，其中包含一个 4,4-二氟-4-硼-3a,4a-二氮杂-s-茚（BODIPY）分子。这种组合可作为质子还原催化剂，并通过钴肟复合物与还原氧化石墨烯（rGO）之间的π-π堆积固定在一起。此外，还应用紫外可见光谱（UV-Vis）、傅立叶变换红外光谱（FT-IR）、X 射线衍射光谱（XRD）和扫描电子显微镜（SEM）确定了独特的复合物结构。在碱性和酸性条件下考察了两种 rGO/2-Cox 和 rGO/4-Cox 电极对氢气（H2）的电催化活性。与碱性条件相比，钴肟修饰的 rGO 电极在酸性条件下对 HER 的电催化性能更优越。在 0.5 M H2SO4 中，电流密度为 10 mA cm-2 时，rGO/2-Cox 的过电位为 -0.342 V，明显低于 rGO/4-Cox 的过电位（-0.496 V）。在 0.5 M H2SO4 溶液中，rGO/2-Cox 电极的塔菲尔斜率为 111 mV.dec-1，而 rGO/4-Cox 电极的斜率为 156 mVdec-1。这一差异表明，与 rGO/4-Cox 电极相比，rGO/2-Cox 电极在 HER 中表现出更好的性能。
{"title":"Reduced graphene oxide supported meso-pyridyl BODIPY-Cobaloxime complexes for electrocatalytic hydrogen evolution reaction","authors":"","doi":"10.1016/j.ijhydene.2024.09.284","DOIUrl":"10.1016/j.ijhydene.2024.09.284","url":null,"abstract":"<div><div>Creating innovative catalysts utilizing nonprecious metals for the electrocatalytic hydrogen evolution reaction (HER) poses a significant difficulty. We present a cobaloxime (Cox) complex having pyridine (<strong>2-Cox</strong>) and tetrafluorophenyl-thio-pyridine (<strong>4-Cox</strong>) functional groups, which contains a 4,4-Difluoro-4-bora-3a,4a-diaza-s-indacene (BODIPY) moiety. This combination serves as a catalyst for proton reduction and is immobilized onto reduced graphene oxide (rGO) by π–π stacking between the cobaloxime complex and rGO. Moreover, the unique complex's structures were determined through the application of ultraviolet–visible spectroscopy (UV–Vis), Fourier Transform Infrared spectroscopy (FT-IR), X-ray diffraction spectroscopy (XRD), and scanning electron microscopy (SEM). The electrocatalytic activity of the two <strong>rGO/2-Cox</strong> and <strong>rGO/4-Cox</strong> electrodes towards hydrogen (H<sub>2</sub>) were examined under both alkaline and acidic conditions. The cobaloxime-modified rGO electrodes demonstrate superior electrocatalytic performance for the HER under acidic conditions compared to alkaline conditions. The overpotential at a current density of 10 mA cm<sup>−2</sup> for <strong>rGO/2-Cox</strong> in 0.5 M H<sub>2</sub>SO<sub>4</sub> is −0.342 V, which is notably lower than the overpotential of <strong>rGO/4-Cox</strong> (−0.496 V). The Tafel slope for the <strong>rGO/2-Cox</strong> electrode in a 0.5 M H<sub>2</sub>SO<sub>4</sub> solution is 111 mV.dec<sup>−1</sup>, but for the <strong>rGO/4-Cox</strong> electrode it is 156 mVdec<sup>−1</sup>. This discrepancy suggests that the <strong>rGO/2-Cox</strong> electrode demonstrates better performance in the HER compared to the <strong>rGO/4-Cox</strong> electrode.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":null,"pages":null},"PeriodicalIF":8.1,"publicationDate":"2024-09-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142357245","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}
Pub Date : 2024-09-28DOI: 10.1016/j.ijhydene.2024.09.332
This study conducts a comprehensive risk assessment for a selected hydrogen supply system within a pilot hydrogen power plant. The assessment begins with hazard identification through Hazard and Operability (HAZOP) analysis, followed by quantification using bow-tie analysis and consequence modeling to evaluate the impacts of credible scenarios resulting from random failures. Furthermore, a fuzzy Bayesian network is employed to address uncertainties inherent in the quantitative approaches and to account for event combinations and dependencies. Sensitivity analysis is subsequently conducted to identify critical events. Utilizing three quantitative approaches, fault tree analysis, the Bayesian network, without and with evidence updating, the probability of the top event is determined to be 4.52 × 10−2/year, 4.50 × 10−2/year, and 4.70 × 10−2/year, respectively. Additionally, the estimated firezone resulting from the explosion's 300 mbar overpressure was 12 m. The findings highlight the significant role of pressure regulator valve and pressure transmitter failures, with posterior probabilities of 0.17/year and 1.90 × 10−3/year, in ensuring the system's safety.
{"title":"Insight process safety of a hydrogen turbine supply system: A comprehensive dynamic risk assessment using a fuzzy Bayesian network","authors":"","doi":"10.1016/j.ijhydene.2024.09.332","DOIUrl":"10.1016/j.ijhydene.2024.09.332","url":null,"abstract":"<div><div>This study conducts a comprehensive risk assessment for a selected hydrogen supply system within a pilot hydrogen power plant. The assessment begins with hazard identification through Hazard and Operability (HAZOP) analysis, followed by quantification using bow-tie analysis and consequence modeling to evaluate the impacts of credible scenarios resulting from random failures. Furthermore, a fuzzy Bayesian network is employed to address uncertainties inherent in the quantitative approaches and to account for event combinations and dependencies. Sensitivity analysis is subsequently conducted to identify critical events. Utilizing three quantitative approaches, fault tree analysis, the Bayesian network, without and with evidence updating, the probability of the top event is determined to be 4.52 × 10<sup>−2</sup>/year, 4.50 × 10<sup>−2</sup>/year, and 4.70 × 10<sup>−2</sup>/year, respectively. Additionally, the estimated firezone resulting from the explosion's 300 mbar overpressure was 12 m. The findings highlight the significant role of pressure regulator valve and pressure transmitter failures, with posterior probabilities of 0.17/year and 1.90 × 10<sup>−3</sup>/year, in ensuring the system's safety.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":null,"pages":null},"PeriodicalIF":8.1,"publicationDate":"2024-09-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142357260","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}
Pub Date : 2024-09-28DOI: 10.1016/j.ijhydene.2024.09.355
Production of oxygen and hydrogen energy through suited photocatalysts by water splitting is the main issue in the modern age. In this regard, the double perovskite Dion-Jacobson materials RbX2Y3O10 (X = Ca, Ba: YCd, Ta) for photocatalytic activity are investigated by using the CASTEP package. The plane-wave (PW) pseudo-potential in the context of the generalized gradient approximation (GGA)-Perdew Burke Ernzerhof (PBE) and local density approximation (LDA) exchange-correlation functional technique is used to investigate the compounds. According to the results, compounds have a tetragonal (a = b≠c) structure with space group 123 (p4/mmm). Compounds Mullikan bond populations were estimated in order to comprehend the bonding characteristics that found a mixed ionic and covalent bonding. According to electronic characteristics, RbBa2Ta3O10, RbBa2Cd3O10, and RbCa2Cd3O10 have semiconductor behavior with indirect bandgap of 2.11 eV, 2.27 eV, and 1.51 eV, respectively, and respond under visible region light. DOS and PDOS are studied to inspect the distinct atom's contribution to electronic band structure. The compounds are mechanically brittle (1.55, 1.39), ductile (1.97), and stable in their natural form, according to elastic constant values. The optical characteristics simulation indicates that compounds have the potential to decompose or oxidize organic contaminants. According to the results, these compounds are suitable for the water-splitting photocatalytic process to produce oxygen and hydrogen.
通过合适的光催化剂分水生产氧气和氢气是当代的主要问题。为此，我们使用 CASTEP 软件包研究了具有光催化活性的双包晶Dion-Jacobson材料RbX2Y3O10 (X = Ca, Ba: YCd, Ta)。在广义梯度近似（GGA）-Perdew Burke Ernzerhof（PBE）和局部密度近似（LDA）交换相关函数技术的背景下，使用平面波（PW）伪电势对化合物进行了研究。结果表明，化合物具有四方（a = b≠c）结构，空间群为 123（p4/mmm）。为了了解化合物的成键特征，我们估算了 Mullikan 键的数量，发现了离子键和共价键的混合。根据电子特性，RbBa2Ta3O10、RbBa2Cd3O10 和 RbCa2Cd3O10 具有半导体特性，其间接带隙分别为 2.11 eV、2.27 eV 和 1.51 eV，并能在可见光区域产生反应。对 DOS 和 PDOS 进行了研究，以了解不同原子对电子带结构的贡献。根据弹性常数值，这些化合物具有机械脆性（1.55、1.39）和韧性（1.97），并且在自然形态下是稳定的。光学特性模拟表明，这些化合物具有分解或氧化有机污染物的潜力。根据研究结果，这些化合物适合用于水分离光催化过程，以产生氧气和氢气。
{"title":"First principles calculations of double perovskite RbX2Y3O10 (X = Ca, Ba: YCd, Ta) materials for photocatalytic applications","authors":"","doi":"10.1016/j.ijhydene.2024.09.355","DOIUrl":"10.1016/j.ijhydene.2024.09.355","url":null,"abstract":"<div><div>Production of oxygen and hydrogen energy through suited photocatalysts by water splitting is the main issue in the modern age. In this regard, the double perovskite Dion-Jacobson materials RbX<sub>2</sub>Y<sub>3</sub>O<sub>10</sub> (X = Ca, Ba: Y<img>Cd, Ta) for photocatalytic activity are investigated by using the CASTEP package. The plane-wave (PW) pseudo-potential in the context of the generalized gradient approximation (GGA)-Perdew Burke Ernzerhof (PBE) and local density approximation (LDA) exchange-correlation functional technique is used to investigate the compounds. According to the results, compounds have a tetragonal (a = b≠c) structure with space group 123 (p4/mmm). Compounds Mullikan bond populations were estimated in order to comprehend the bonding characteristics that found a mixed ionic and covalent bonding. According to electronic characteristics, RbBa<sub>2</sub>Ta<sub>3</sub>O<sub>10</sub>, RbBa<sub>2</sub>Cd<sub>3</sub>O<sub>10</sub>, and RbCa<sub>2</sub>Cd<sub>3</sub>O<sub>10</sub> have semiconductor behavior with indirect bandgap of 2.11 eV, 2.27 eV, and 1.51 eV, respectively, and respond under visible region light. DOS and PDOS are studied to inspect the distinct atom's contribution to electronic band structure. The compounds are mechanically brittle (1.55, 1.39), ductile (1.97), and stable in their natural form, according to elastic constant values. The optical characteristics simulation indicates that compounds have the potential to decompose or oxidize organic contaminants. According to the results, these compounds are suitable for the water-splitting photocatalytic process to produce oxygen and hydrogen.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":null,"pages":null},"PeriodicalIF":8.1,"publicationDate":"2024-09-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142357255","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}
Pub Date : 2024-09-28DOI: 10.1016/j.ijhydene.2024.09.363
This study comprehensively examined the hydrogen production performance of anaerobic microbial communities sourced from 12 distinct geographical locations during dark fermentation. The experimental outcomes unambiguously demonstrated that all tested anaerobic microbial communities harbored microorganisms capable of converting organic substrates into hydrogen. Nevertheless, the achievement of efficient hydrogen production was largely contingent on the inoculum composition, specifically the presence of specific dominant bacteria populations. Among the tested groups, the group of biogas slurry 2 exhibited remarkable performance, attaining a hydrogen production level of up to 118.00 ± 2.48 mL/gVS with a H2 content peaking at 69.35%. And the primary dominant bacteria were Caproiciproducens, Erysipelotrichaceae_UCG-009, and Solobacterium. Additionally, the silt at lake bottom group demonstrated substantial hydrogen-producing capabilities, achieving 114.18 ± 5.98 mL H2/gVS and a hydrogen content reaching 59.21%. The principal dominant bacteria were Lactobacillus and Prevotella_7. Conversely, the frozen digestate group displayed the lowest hydrogen production, with merely 1.05 mL H2/gVS. Furthermore, this study highlighted the significance of microbial community structure complexity and diversity in the inoculum on hydrogen production. When the microbial community exhibited greater complexity and diversity, the relative abundance of dominant populations was more balanced. This balance not only enhanced the stability of the system but also improved hydrogen production. Future studies could broaden the geographical scope and delve deeper into the disparities between inoculums to identify more efficient microbial communities for hydrogen production. Such endeavors would provide theoretical support for the practical application of biohydrogen production technology, paving the way for sustainable and eco-friendly energy production.
{"title":"Geographic scale-based analysis of hydrogen production efficiency and mechanism in dark fermentation utilizing diverse inoculums","authors":"","doi":"10.1016/j.ijhydene.2024.09.363","DOIUrl":"10.1016/j.ijhydene.2024.09.363","url":null,"abstract":"<div><div>This study comprehensively examined the hydrogen production performance of anaerobic microbial communities sourced from 12 distinct geographical locations during dark fermentation. The experimental outcomes unambiguously demonstrated that all tested anaerobic microbial communities harbored microorganisms capable of converting organic substrates into hydrogen. Nevertheless, the achievement of efficient hydrogen production was largely contingent on the inoculum composition, specifically the presence of specific dominant bacteria populations. Among the tested groups, the group of biogas slurry 2 exhibited remarkable performance, attaining a hydrogen production level of up to 118.00 ± 2.48 mL/gVS with a H<sub>2</sub> content peaking at 69.35%. And the primary dominant bacteria were <em>Caproiciproducens</em>, <em>Erysipelotrichaceae_UCG-009</em>, and <em>Solobacterium</em>. Additionally, the silt at lake bottom group demonstrated substantial hydrogen-producing capabilities, achieving 114.18 ± 5.98 mL H<sub>2</sub>/gVS and a hydrogen content reaching 59.21%. The principal dominant bacteria were <em>Lactobacillus</em> and <em>Prevotella_7</em>. Conversely, the frozen digestate group displayed the lowest hydrogen production, with merely 1.05 mL H<sub>2</sub>/gVS. Furthermore, this study highlighted the significance of microbial community structure complexity and diversity in the inoculum on hydrogen production. When the microbial community exhibited greater complexity and diversity, the relative abundance of dominant populations was more balanced. This balance not only enhanced the stability of the system but also improved hydrogen production. Future studies could broaden the geographical scope and delve deeper into the disparities between inoculums to identify more efficient microbial communities for hydrogen production. Such endeavors would provide theoretical support for the practical application of biohydrogen production technology, paving the way for sustainable and eco-friendly energy production.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":null,"pages":null},"PeriodicalIF":8.1,"publicationDate":"2024-09-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142357247","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}
Pub Date : 2024-09-28DOI: 10.1016/j.ijhydene.2024.09.335
Due to the abundance of active components and low cost, pyrite cinder has great potential as an oxygen carrier in the process of chemical looping combustion (CLC). In order to improve the fuel combustion reactivity, we modified pyrite cinder with copper oxide (CuO). The addition of copper oxide could effectively increase the pore volume and oxygen vacancy concentration of pyrite cinder. The modified pyrite cinder with 20 wt% CuO possessed the highest pore volume (0.3 cm3/g) and oxygen vacancy concentration (55.61%). During the long-term redox cycles, the modified pyrite cinder samples showed higher fuel combustion reactivity than the undoped sample. The results of characterization indicated that the crystalline phases of CuO and CuFe2O4 were formed in the CuO-modified pyrite cinder samples. The active components (Fe2O3, CuFe2O4 and CuO) in the modified pyrite cinder samples were reduced to Fe3O4, FeO, CuFeO2 and Cu during the reduction half cycle. The modified pyrite cinder with 20 wt% CuO possessed the highest CH4 conversion (nearly 100%) and CO2 selectivity (nearly 100%) in multiple redox testing. The CH4 conversion of undoped pyrite cinder was only about 60%. When the content of CuO reached 30 wt%, surface sintering occurred for the modified pyrite cinder, resulting in the decrease of CH4 conversion and surface area. After continuous redox cycles, the CuO-modified pyrite cinder samples could maintain the original crystal structure.
{"title":"Enhanced performance of pyrite cinder oxygen carrier modified by CuO for chemical looping combustion","authors":"","doi":"10.1016/j.ijhydene.2024.09.335","DOIUrl":"10.1016/j.ijhydene.2024.09.335","url":null,"abstract":"<div><div>Due to the abundance of active components and low cost, pyrite cinder has great potential as an oxygen carrier in the process of chemical looping combustion (CLC). In order to improve the fuel combustion reactivity, we modified pyrite cinder with copper oxide (CuO). The addition of copper oxide could effectively increase the pore volume and oxygen vacancy concentration of pyrite cinder. The modified pyrite cinder with 20 wt% CuO possessed the highest pore volume (0.3 cm<sup>3</sup>/g) and oxygen vacancy concentration (55.61%). During the long-term redox cycles, the modified pyrite cinder samples showed higher fuel combustion reactivity than the undoped sample. The results of characterization indicated that the crystalline phases of CuO and CuFe<sub>2</sub>O<sub>4</sub> were formed in the CuO-modified pyrite cinder samples. The active components (Fe<sub>2</sub>O<sub>3</sub>, CuFe<sub>2</sub>O<sub>4</sub> and CuO) in the modified pyrite cinder samples were reduced to Fe<sub>3</sub>O<sub>4</sub>, FeO, CuFeO<sub>2</sub> and Cu during the reduction half cycle. The modified pyrite cinder with 20 wt% CuO possessed the highest CH<sub>4</sub> conversion (nearly 100%) and CO<sub>2</sub> selectivity (nearly 100%) in multiple redox testing. The CH<sub>4</sub> conversion of undoped pyrite cinder was only about 60%. When the content of CuO reached 30 wt%, surface sintering occurred for the modified pyrite cinder, resulting in the decrease of CH<sub>4</sub> conversion and surface area. After continuous redox cycles, the CuO-modified pyrite cinder samples could maintain the original crystal structure.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":null,"pages":null},"PeriodicalIF":8.1,"publicationDate":"2024-09-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142357248","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}
Pub Date : 2024-09-28DOI: 10.1016/j.ijhydene.2024.09.247
Hydrogen has become an essential element in the pursuit of sustainable and clean energy solutions. Especially with the fast-paced advancement in demand, supply, and policy environment, its impact on hybrid renewable energy (HRE) management is becoming increasingly relevant. Efficient energy consumption, cost reduction, and enhanced user comfort are now critical factors in energy optimization. The production of green hydrogen, which is generated through water electrolysis using renewable energy sources (RES), has shown great potential as a sustainable energy solution. It offers several advantages, such as zero greenhouse gas emissions, high energy density, and versatile applications. This paper presents a detailed study on the power management and control of a hybrid renewable system (HRES) equipped with a diesel generator (DG) as a backup power source. The main objectives of the hybrid system are to satisfy the load power demand, ensure the most efficient use of the HRES, and keep the battery bank charged to prevent blackouts and extend the battery's life. To guarantee the system's reliability, the DG should be sized to meet the peak load demand when the RES generates less electricity than the load demand. This study explores the feasibility of modified versions of the load following and cycle charging control strategies to overcome the limitations of managing generation and storage systems' operations in different operating modes and to enhance the performance of an HRES with a DG that supplies electricity to a small and remote location. The proposed method not only maximizes the use of RES production but also enables multi-energy source management under different power generation and load demand scenarios. The study's outcomes demonstrate the feasibility of this proposed power dispatch strategy in a remote location environment. The paper includes a detailed discussion of overall control, mathematical models, energy storage in the battery model, and energy dispatching based on load following. To design and simulate the hybrid model system, MATLAB-SIMULINK is used, and the results are analyzed to identify the appropriate operation requirements, component selection, and energy management of the hybrid renewable energy system.
{"title":"Power management and control of hybrid renewable energy systems with integrated diesel generators for remote areas","authors":"","doi":"10.1016/j.ijhydene.2024.09.247","DOIUrl":"10.1016/j.ijhydene.2024.09.247","url":null,"abstract":"<div><div>Hydrogen has become an essential element in the pursuit of sustainable and clean energy solutions. Especially with the fast-paced advancement in demand, supply, and policy environment, its impact on hybrid renewable energy (HRE) management is becoming increasingly relevant. Efficient energy consumption, cost reduction, and enhanced user comfort are now critical factors in energy optimization. The production of green hydrogen, which is generated through water electrolysis using renewable energy sources (RES), has shown great potential as a sustainable energy solution. It offers several advantages, such as zero greenhouse gas emissions, high energy density, and versatile applications. This paper presents a detailed study on the power management and control of a hybrid renewable system (HRES) equipped with a diesel generator (DG) as a backup power source. The main objectives of the hybrid system are to satisfy the load power demand, ensure the most efficient use of the HRES, and keep the battery bank charged to prevent blackouts and extend the battery's life. To guarantee the system's reliability, the DG should be sized to meet the peak load demand when the RES generates less electricity than the load demand. This study explores the feasibility of modified versions of the load following and cycle charging control strategies to overcome the limitations of managing generation and storage systems' operations in different operating modes and to enhance the performance of an HRES with a DG that supplies electricity to a small and remote location. The proposed method not only maximizes the use of RES production but also enables multi-energy source management under different power generation and load demand scenarios. The study's outcomes demonstrate the feasibility of this proposed power dispatch strategy in a remote location environment. The paper includes a detailed discussion of overall control, mathematical models, energy storage in the battery model, and energy dispatching based on load following. To design and simulate the hybrid model system, MATLAB-SIMULINK is used, and the results are analyzed to identify the appropriate operation requirements, component selection, and energy management of the hybrid renewable energy system.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":null,"pages":null},"PeriodicalIF":8.1,"publicationDate":"2024-09-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142327083","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}
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