Pub Date : 2024-11-28DOI: 10.1016/j.ijhydene.2024.11.242
Giovanni Caramia, Riccardo Amirante, Pietro De Palma
Hydrogen can be considered a suitable fuel for heavy-duty reciprocating internal combustion engines (ICEs) in order to limit carbon dioxide emissions. The low volumetric power density of hydrogen and the backfire problem suggest to employing the direct injection technology with relatively high nozzle pressure ratios (NPRs). This paper provides the analysis of under-expanded hydrogen jet dynamics using an open-source high-fidelity simulation tool based on the OpenFOAM framework. The unsteady Reynolds-averaged Navier–Stokes (URANS) equations are solved by an efficient pressure-based solver for compressible flow. URANS equations are attractive for fast engineering analysis of 3D engine cycle and optimization, where large eddy simulation (LES) is too computationally expensive. The accuracy of the simulations is enhanced by employing the weighted essentially non-oscillatory (WENO) approach for the spatial discretization, considering schemes from second-order to fourth-order accuracy. Those schemes are embedded in a pressure-implicit with splitting of operators (PISO) algorithm, obtaining a very robust and accurate numerical method for compressible multi-species flows, which can be shared in an open access framework. Hydrogen injection in air is simulated, with several values of the NPR typical of direct injection ICE in the low-medium range, . The main features of the developing jet are analyzed, such as barrel shock dimensions, cone angle and hydrogen–air mixing. The results are validated with respect to experimental and LES data available in the recent literature, demonstrating the efficiency and the accuracy of the employed URANS approach and evaluating its limits.
{"title":"Unsteady RANS simulations of under-expanded hydrogen jets for internal combustion engines","authors":"Giovanni Caramia, Riccardo Amirante, Pietro De Palma","doi":"10.1016/j.ijhydene.2024.11.242","DOIUrl":"10.1016/j.ijhydene.2024.11.242","url":null,"abstract":"<div><div>Hydrogen can be considered a suitable fuel for heavy-duty reciprocating internal combustion engines (ICEs) in order to limit carbon dioxide emissions. The low volumetric power density of hydrogen and the backfire problem suggest to employing the direct injection technology with relatively high nozzle pressure ratios (NPRs). This paper provides the analysis of under-expanded hydrogen jet dynamics using an open-source high-fidelity simulation tool based on the OpenFOAM framework. The unsteady Reynolds-averaged Navier–Stokes (URANS) equations are solved by an efficient pressure-based solver for compressible flow. URANS equations are attractive for fast engineering analysis of 3D engine cycle and optimization, where large eddy simulation (LES) is too computationally expensive. The accuracy of the simulations is enhanced by employing the weighted essentially non-oscillatory (WENO) approach for the spatial discretization, considering schemes from second-order to fourth-order accuracy. Those schemes are embedded in a pressure-implicit with splitting of operators (PISO) algorithm, obtaining a very robust and accurate numerical method for compressible multi-species flows, which can be shared in an open access framework. Hydrogen injection in air is simulated, with several values of the NPR typical of direct injection ICE in the low-medium range, <span><math><mrow><mn>8</mn><mo>.</mo><mn>5</mn><mo>≤</mo><mi>N</mi><mi>P</mi><mi>R</mi><mo>≤</mo><mn>30</mn></mrow></math></span>. The main features of the developing jet are analyzed, such as barrel shock dimensions, cone angle and hydrogen–air mixing. The results are validated with respect to experimental and LES data available in the recent literature, demonstrating the efficiency and the accuracy of the employed URANS approach and evaluating its limits.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"96 ","pages":"Pages 849-859"},"PeriodicalIF":8.1,"publicationDate":"2024-11-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142744841","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 : 2024-11-28DOI: 10.1016/j.ijhydene.2024.11.297
Bowen Sa , Weiwei Shao , Zhenghao Ge , Xiaotian Bi , Zhonghao Wang , Xiang Xu
Considering the requirements for developing hydrogen combustion chambers and the application potential of micro-mix combustion, the flame macrostructure and evolution of hydrogen-air multi-microjet flames have been investigated to discover the relationship between flame macrostructure and thermoacoustic instability. A novel burner has been tested under different combustor liner lengths to simultaneously produce stable and unstable combustion under the same operation conditions. A compact conical flame shape without adjacent flame front interference is observed. In comparison with the combustor liner length, the flame temperature variation shows an insignificant effect on the thermoacoustic instability but triggers an oscillation mode transition from low-frequency (∼210–240Hz) to high-frequency (∼400–440Hz) under unstable combustion. Different flame evolutions are revealed for these oscillation modes. DMD analysis and LES simulation show that the high-frequency oscillation mode is mainly controlled by flame front oscillation and flame pinch-off process. However, the low-frequency oscillation mode is characterized by flame extinction on a large scale. Both equivalent ratio and velocity fluctuations contributed to flame and heat release oscillations under low and high flame temperatures. These findings help understand the mechanisms, driving hydrogen-air flame dynamics, and designing hydrogen combustors.
{"title":"Experimental investigation on macrostructure and evolution of hydrogen-air micro-mix multi-jet flames","authors":"Bowen Sa , Weiwei Shao , Zhenghao Ge , Xiaotian Bi , Zhonghao Wang , Xiang Xu","doi":"10.1016/j.ijhydene.2024.11.297","DOIUrl":"10.1016/j.ijhydene.2024.11.297","url":null,"abstract":"<div><div>Considering the requirements for developing hydrogen combustion chambers and the application potential of micro-mix combustion, the flame macrostructure and evolution of hydrogen-air multi-microjet flames have been investigated to discover the relationship between flame macrostructure and thermoacoustic instability. A novel burner has been tested under different combustor liner lengths to simultaneously produce stable and unstable combustion under the same operation conditions. A compact conical flame shape without adjacent flame front interference is observed. In comparison with the combustor liner length, the flame temperature variation shows an insignificant effect on the thermoacoustic instability but triggers an oscillation mode transition from low-frequency (∼210–240Hz) to high-frequency (∼400–440Hz) under unstable combustion. Different flame evolutions are revealed for these oscillation modes. DMD analysis and LES simulation show that the high-frequency oscillation mode is mainly controlled by flame front oscillation and flame pinch-off process. However, the low-frequency oscillation mode is characterized by flame extinction on a large scale. Both equivalent ratio and velocity fluctuations contributed to flame and heat release oscillations under low and high flame temperatures. These findings help understand the mechanisms, driving hydrogen-air flame dynamics, and designing hydrogen combustors.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"97 ","pages":"Pages 25-37"},"PeriodicalIF":8.1,"publicationDate":"2024-11-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142747326","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 : 2024-11-28DOI: 10.1016/j.ijhydene.2024.11.236
Xue Yan Sim , Ning He , Peer Mohamed Abdul , Swee Keong Yeap , Yew Woh Hui , Nur Syakina Jamali , Guo Ren Mong , Kok Sin Woon , Peng Chee Tan , Jian Ping Tan
Aligning with Sustainable Development Goals 7 and 12, this project explores the utilization of durian peel and waste glycerol as sustainable carbon sources to produce green biohydrogen and 1,3-propanediol. The study elucidates the synergistic impact of the glucose-glycerol co-substrate ratio for the co-production of 1,3-propanediol and biohydrogen. Then, the ratio is applied to durian peel hydrolysate and biodiesel glycerol. A glycerol-to-glucose ratio of 10:1 by mass produces a maximum hydrogen productivity and yield of 67.46 mL/L∙h and 0.11 mol H2/mol substrate consumed and a fairly high 1,3-propanediol titer, yield and productivity. Moreover, the application of waste-derived carbon sources, i.e., durian peel hydrolysate and treated glycerol, enhances H2 yield and productivity by 18.9% and 7.5%, respectively. These findings promote biofuel and bioplastic application, establishing a flagship circular bioeconomy technology in the ASEAN region to cater to regional polyester, resin and energy demand while promoting waste reduction and lower greenhouse gas emissions.
{"title":"Synergistic impact of co-substrate of biodiesel crude glycerol and durian peel hydrolysate for biohydrogen and 1,3-propanediol synthesis by Clostridium butyricum","authors":"Xue Yan Sim , Ning He , Peer Mohamed Abdul , Swee Keong Yeap , Yew Woh Hui , Nur Syakina Jamali , Guo Ren Mong , Kok Sin Woon , Peng Chee Tan , Jian Ping Tan","doi":"10.1016/j.ijhydene.2024.11.236","DOIUrl":"10.1016/j.ijhydene.2024.11.236","url":null,"abstract":"<div><div>Aligning with Sustainable Development Goals 7 and 12, this project explores the utilization of durian peel and waste glycerol as sustainable carbon sources to produce green biohydrogen and 1,3-propanediol. The study elucidates the synergistic impact of the glucose-glycerol co-substrate ratio for the co-production of 1,3-propanediol and biohydrogen. Then, the ratio is applied to durian peel hydrolysate and biodiesel glycerol. A glycerol-to-glucose ratio of 10:1 by mass produces a maximum hydrogen productivity and yield of 67.46 mL/L∙h and 0.11 mol H<sub>2</sub>/mol substrate consumed and a fairly high 1,3-propanediol titer, yield and productivity. Moreover, the application of waste-derived carbon sources, i.e., durian peel hydrolysate and treated glycerol, enhances H<sub>2</sub> yield and productivity by 18.9% and 7.5%, respectively. These findings promote biofuel and bioplastic application, establishing a flagship circular bioeconomy technology in the ASEAN region to cater to regional polyester, resin and energy demand while promoting waste reduction and lower greenhouse gas emissions.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"96 ","pages":"Pages 1119-1130"},"PeriodicalIF":8.1,"publicationDate":"2024-11-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142744437","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 : 2024-11-28DOI: 10.1016/j.ijhydene.2024.11.416
Mengliang Lin , Zhibiao Xu , Pengfei Gao , Laipeng Luo , Xiangzhong Xie , Jun Xia , Pengju Chen , Yuhui Zhang , Yong Huang , Shengli Han
In this work, Mg95−xNi5Ndx(x = 0,1,3,5) alloys were successfully designed and prepared by induction melting combined with high-energy ball milling. The effects of the microstructure and phase evolution of the alloys on its kinetics and thermodynamics were analyzed by XRD, SEM, and PCT characterization methods. The results indicate that the alloys comprise the following phases: Mg, Mg2Ni, Mg41Nd5, and Mg12Nd phases. The hydrogen absorption reaction pathway of the alloy was Mg + Mg2Ni + H2→MgH2 + Mg2NiH4、Mg41Nd5 + Mg12Nd + H2→ MgH2 + Nd2H5, and the dehydrogenation reaction pathway was MgH2+ Mg2NiH4→Mg + Mg2Ni + H2. The in-situ formed Nd2H5 phase remains stable and non-decomposable but is finely dispersed on the matrix surface. This phase exhibits catalytic activity, significantly enhancing the hydrogen storage performance of the alloy. As the Nd content increases, the dehydrogenation activation energy of the alloy decreases from 98.690 kJ/mol to 69.88 kJ/mol, which is the primary reason for the improvement in the alloy's hydrogen storage kinetics.
{"title":"Hydrogen storage properties of Mg95-xNi5Ndx (x=0, 1, 3, 5) alloys","authors":"Mengliang Lin , Zhibiao Xu , Pengfei Gao , Laipeng Luo , Xiangzhong Xie , Jun Xia , Pengju Chen , Yuhui Zhang , Yong Huang , Shengli Han","doi":"10.1016/j.ijhydene.2024.11.416","DOIUrl":"10.1016/j.ijhydene.2024.11.416","url":null,"abstract":"<div><div>In this work, Mg<sub>95−x</sub>Ni<sub>5</sub>Nd<sub>x</sub>(x = 0,1,3,5) alloys were successfully designed and prepared by induction melting combined with high-energy ball milling. The effects of the microstructure and phase evolution of the alloys on its kinetics and thermodynamics were analyzed by XRD, SEM, and PCT characterization methods. The results indicate that the alloys comprise the following phases: Mg, Mg<sub>2</sub>Ni, Mg<sub>41</sub>Nd<sub>5</sub>, and Mg<sub>12</sub>Nd phases. The hydrogen absorption reaction pathway of the alloy was <em>Mg</em> + <em>Mg</em><sub><em>2</em></sub><em>Ni</em> + <em>H</em><sub><em>2</em></sub><em>→MgH</em><sub><em>2</em></sub> + <em>Mg</em><sub><em>2</em></sub><em>NiH</em><sub><em>4</em></sub><em>、Mg</em><sub><em>41</em></sub><em>Nd</em><sub><em>5</em></sub> + <em>Mg</em><sub><em>12</em></sub><em>Nd</em> + <em>H</em><sub><em>2</em></sub> <em>→ MgH</em><sub><em>2</em></sub> + <em>Nd</em><sub><em>2</em></sub><em>H</em><sub><em>5</em></sub><em>,</em> and the dehydrogenation reaction pathway was <em>MgH</em><sub><em>2</em></sub> <em>+ Mg</em><sub><em>2</em></sub><em>NiH</em><sub><em>4</em></sub><em>→Mg</em> + <em>Mg</em><sub><em>2</em></sub><em>Ni</em> + <em>H</em><sub><em>2</em></sub>. The in-situ formed Nd<sub>2</sub>H<sub>5</sub> phase remains stable and non-decomposable but is finely dispersed on the matrix surface. This phase exhibits catalytic activity, significantly enhancing the hydrogen storage performance of the alloy. As the Nd content increases, the dehydrogenation activation energy of the alloy decreases from 98.690 kJ/mol to 69.88 kJ/mol, which is the primary reason for the improvement in the alloy's hydrogen storage kinetics.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"97 ","pages":"Pages 11-24"},"PeriodicalIF":8.1,"publicationDate":"2024-11-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142747405","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 : 2024-11-28DOI: 10.1016/j.ijhydene.2024.11.363
Qing Tan , Chengcheng Wu , Xuan Li , Jing Li
As cities are faced with increasing resource and environmental problems, sustainable urban growth is progressively becoming dependent on enhancing Green Financial Performance (GFP). Although China's new energy transition program represents an exciting paradigm change in the field of green energy, there needs to be more analysis on its impact on environmentally responsive economic development. This study evaluates the GFP of 255 Chinese cities using the non-radial distance's role approach, using city level panel data from 2005 to 2021. Based on the analysis, the results are then utilized to give quasi-experimental observations about the impact of the New Energy Demonstration City (NEDC) policy on urban GFP. China's NEDC policy has been shown to enhance green economic growth in urban areas, with 2% greater GFP in demonstration cities. This approach promotes sustainability using eco-finance, technology, and industry, although its effects differ depending on geography and available resources. The results remain stable, even after extensive robustness testing. According to a heterogeneity study, GFP of the central and western region, along with non-resource cities are more strongly impacted by the NEDC policy. Analysis of the policy's underlying mechanisms reveals that progress in technical innovation, upgrading industries and development of green finance are the primary forces behind the policy's beneficial effects. The NEDC policy can strike a good balance between environmental and economic nexus, thereby becoming a model for sustainable urban development.
{"title":"Urban energy efficiency: A path towards sustainable futures in the age of energy transition","authors":"Qing Tan , Chengcheng Wu , Xuan Li , Jing Li","doi":"10.1016/j.ijhydene.2024.11.363","DOIUrl":"10.1016/j.ijhydene.2024.11.363","url":null,"abstract":"<div><div>As cities are faced with increasing resource and environmental problems, sustainable urban growth is progressively becoming dependent on enhancing Green Financial Performance (GFP). Although China's new energy transition program represents an exciting paradigm change in the field of green energy, there needs to be more analysis on its impact on environmentally responsive economic development. This study evaluates the GFP of 255 Chinese cities using the non-radial distance's role approach, using city level panel data from 2005 to 2021. Based on the analysis, the results are then utilized to give quasi-experimental observations about the impact of the New Energy Demonstration City (NEDC) policy on urban GFP. China's NEDC policy has been shown to enhance green economic growth in urban areas, with 2% greater GFP in demonstration cities. This approach promotes sustainability using eco-finance, technology, and industry, although its effects differ depending on geography and available resources. The results remain stable, even after extensive robustness testing. According to a heterogeneity study, GFP of the central and western region, along with non-resource cities are more strongly impacted by the NEDC policy. Analysis of the policy's underlying mechanisms reveals that progress in technical innovation, upgrading industries and development of green finance are the primary forces behind the policy's beneficial effects. The NEDC policy can strike a good balance between environmental and economic nexus, thereby becoming a model for sustainable urban development.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"96 ","pages":"Pages 908-922"},"PeriodicalIF":8.1,"publicationDate":"2024-11-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142744940","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 : 2024-11-28DOI: 10.1016/j.ijhydene.2024.11.342
S. Padmanabhan , N. Punitha , N. Poyyamozhi , S. Senthil , D. Damodharan , K. Sakunthala
In environmental sustainability, it broadly deals with concerns of climate change, attainment of clean air, utilization of renewable energy sources, establishment of nontoxic environments, and the capability of communities to strive in healthy settings. In light of these challenges, researchers are focusing on minimizing harmful emissions by improving traditional fuels with nano additives and hydroxy gas. This study explores the potential for enhancing gasoline fuel efficiency and lowering harmful emissions by incorporating ceric dioxide nanoparticles and hydroxy gas injection in a gasoline engine. Two concentrations of nanoparticles of 25 ppm and 50 ppm were tested alongside hydroxy gas injection rates of 0.15 kg/h and 0.25 kg/h to assess their effects on engine performance and exhaust emissions. The findings revealed a significant boost in thermal efficiency, with a peak increase of 18.1% and a 20.6% reduction in fuel consumption when using 50 ppm of nanoparticles and 0.25 kg/h of hydroxy gas. Emissions were also significantly lowered, with carbon monoxide emissions dropping by 15.7% and unburned hydrocarbons by 23.6%. Response Surface Methodology was utilized to optimize the experimental parameters, achieving a minimum fuel consumption of 0.331 kg/kWh, HC emissions of 216.81 ppm, and CO emissions of 3.206% under the optimal conditions of 50 ppm CeO₂ and 0.25 kg/h HHO gas. These results validate the effectiveness of using nano-enhanced fuels and hydroxy gas injection to boost engine efficiency and cut down on environmental pollutants, presenting a promising avenue for cleaner automotive technologies.
{"title":"Sustainability improvement of spark-ignition engine performance enhanced with nanoparticles and hydroxy gas","authors":"S. Padmanabhan , N. Punitha , N. Poyyamozhi , S. Senthil , D. Damodharan , K. Sakunthala","doi":"10.1016/j.ijhydene.2024.11.342","DOIUrl":"10.1016/j.ijhydene.2024.11.342","url":null,"abstract":"<div><div>In environmental sustainability, it broadly deals with concerns of climate change, attainment of clean air, utilization of renewable energy sources, establishment of nontoxic environments, and the capability of communities to strive in healthy settings. In light of these challenges, researchers are focusing on minimizing harmful emissions by improving traditional fuels with nano additives and hydroxy gas. This study explores the potential for enhancing gasoline fuel efficiency and lowering harmful emissions by incorporating ceric dioxide nanoparticles and hydroxy gas injection in a gasoline engine. Two concentrations of nanoparticles of 25 ppm and 50 ppm were tested alongside hydroxy gas injection rates of 0.15 kg/h and 0.25 kg/h to assess their effects on engine performance and exhaust emissions. The findings revealed a significant boost in thermal efficiency, with a peak increase of 18.1% and a 20.6% reduction in fuel consumption when using 50 ppm of nanoparticles and 0.25 kg/h of hydroxy gas. Emissions were also significantly lowered, with carbon monoxide emissions dropping by 15.7% and unburned hydrocarbons by 23.6%. Response Surface Methodology was utilized to optimize the experimental parameters, achieving a minimum fuel consumption of 0.331 kg/kWh, HC emissions of 216.81 ppm, and CO emissions of 3.206% under the optimal conditions of 50 ppm CeO₂ and 0.25 kg/h HHO gas. These results validate the effectiveness of using nano-enhanced fuels and hydroxy gas injection to boost engine efficiency and cut down on environmental pollutants, presenting a promising avenue for cleaner automotive technologies.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"96 ","pages":"Pages 1171-1185"},"PeriodicalIF":8.1,"publicationDate":"2024-11-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142744941","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 : 2024-11-28DOI: 10.1016/j.ijhydene.2024.11.353
Thanh Tam Nguyen , Kaveh Edalati
Bismuth (III) oxide (Bi2O3) has been highly studied as a photocatalyst for green hydrogen production due to its low band gap, yet its efficiency requires enhancement. This study synthesizes a defective and strained black Bi2O3 by severe straining under high pressure, via a high-pressure torsion method, to improve its photocatalytic hydrogen production. The material rich in oxygen vacancies exhibits a ten-fold improvement in water splitting with excellent cycling stability. Such improvement is due to improved light absorption, narrowing band gap and reduced irradiative electron-hole recombination. Moreover, the valence band bottom energy positively increases by straining leading to a high overpotential for hydrogen production. This research highlights the potential of vacancies and lattice strain in developing dopant-free active catalysts for water splitting.
{"title":"Efficient photocatalytic hydrogen production on defective and strained black bismuth (III) oxide","authors":"Thanh Tam Nguyen , Kaveh Edalati","doi":"10.1016/j.ijhydene.2024.11.353","DOIUrl":"10.1016/j.ijhydene.2024.11.353","url":null,"abstract":"<div><div>Bismuth (III) oxide (Bi<sub>2</sub>O<sub>3</sub>) has been highly studied as a photocatalyst for green hydrogen production due to its low band gap, yet its efficiency requires enhancement. This study synthesizes a defective and strained black Bi<sub>2</sub>O<sub>3</sub> by severe straining under high pressure, via a high-pressure torsion method, to improve its photocatalytic hydrogen production. The material rich in oxygen vacancies exhibits a ten-fold improvement in water splitting with excellent cycling stability. Such improvement is due to improved light absorption, narrowing band gap and reduced irradiative electron-hole recombination. Moreover, the valence band bottom energy positively increases by straining leading to a high overpotential for hydrogen production. This research highlights the potential of vacancies and lattice strain in developing dopant-free active catalysts for water splitting.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"96 ","pages":"Pages 841-848"},"PeriodicalIF":8.1,"publicationDate":"2024-11-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142744948","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 : 2024-11-28DOI: 10.1016/j.ijhydene.2024.11.310
Sandhya Anand Kumar, L. John Kennedy
Hydrogen production via water electrolysis offers a promising route to sustainable energy, but the slow kinetics of the hydrogen evolution reaction (HER) demands efficient, cost-effective electrocatalysts to replace noble metals like platinum. We report a novel CuFeO₂/Fe₃O₄ (CD-SF) nanocomposite synthesized via microwave combustion featuring, heterostructure characterized by X-ray diffraction, X-ray photon spectroscopy, FESEM, and HRTEM. Electrochemical tests of CD-SF on nickel foam in 1 M KOH with Pt coil (Pt-CE) and graphite rod (Gr-CE) counter electrodes show outstanding HER catalytic activity. CD-SF(Pt-CE) achieved a low overpotential of 64.6 mV at current density 10 mA cm−2, with an exchange current density of 6.08 mA cm−2, while CD-SF(Gr-CE) reached 94.6 mV at 10 mA cm−2 with an exchange current density of 8.24 mA cm−2, outperforming many non-noble metal catalysts. Both catalysts exhibited high stability over 12 h of continuous hydrogen generation. This study highlights CD-SF's potential for large-scale industrial water splitting applications.
通过水电解制氢为可持续能源提供了一条很有前途的途径，但析氢反应（HER）的缓慢动力学需要高效、经济的电催化剂来取代铂等贵金属。本文报道了一种新型的微波燃烧合成CuFeO₂/Fe₃O₄（CD-SF）纳米复合材料，其异质结构通过x射线衍射、x射线光子光谱、FESEM和HRTEM进行了表征。在1 M KOH中，用Pt线圈（Pt- ce）和石墨棒（Gr-CE）对电极对泡沫镍进行电化学测试，结果表明CD-SF具有优异的HER催化活性。CD-SF（Pt-CE）在电流密度为10 mA cm−2时的过电位为64.6 mV，交换电流密度为6.08 mA cm−2，而CD-SF（Gr-CE）在10 mA cm−2时的过电位为94.6 mV，交换电流密度为8.24 mA cm−2，优于许多非贵金属催化剂。两种催化剂在连续制氢12 h以上均表现出较高的稳定性。这项研究突出了CD-SF在大规模工业水分解应用中的潜力。
{"title":"Insights into the combined effect of coupled CuFeO2/Fe3O4 heterostructured hybrid electrocatalyst for efficient hydrogen evolution in water splitting","authors":"Sandhya Anand Kumar, L. John Kennedy","doi":"10.1016/j.ijhydene.2024.11.310","DOIUrl":"10.1016/j.ijhydene.2024.11.310","url":null,"abstract":"<div><div>Hydrogen production via water electrolysis offers a promising route to sustainable energy, but the slow kinetics of the hydrogen evolution reaction (HER) demands efficient, cost-effective electrocatalysts to replace noble metals like platinum. We report a novel CuFeO₂/Fe₃O₄ (CD-SF) nanocomposite synthesized via microwave combustion featuring, heterostructure characterized by X-ray diffraction, X-ray photon spectroscopy, FESEM, and HRTEM. Electrochemical tests of CD-SF on nickel foam in 1 M KOH with Pt coil (Pt-CE) and graphite rod (Gr-CE) counter electrodes show outstanding HER catalytic activity. CD-SF(Pt-CE) achieved a low overpotential of 64.6 mV at current density 10 mA cm<sup>−2</sup>, with an exchange current density of 6.08 mA cm<sup>−2</sup>, while CD-SF(Gr-CE) reached 94.6 mV at 10 mA cm<sup>−2</sup> with an exchange current density of 8.24 mA cm<sup>−2</sup>, outperforming many non-noble metal catalysts. Both catalysts exhibited high stability over 12 h of continuous hydrogen generation. This study highlights CD-SF's potential for large-scale industrial water splitting applications.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"96 ","pages":"Pages 1101-1118"},"PeriodicalIF":8.1,"publicationDate":"2024-11-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142744950","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 : 2024-11-28DOI: 10.1016/j.ijhydene.2024.10.424
Eric Langner , Hamidreza Dehghani , Mohamed El Hachemi , Elias Belouettar–Mathis , Ahmed Makradi , Thomas Wallmersperger , Sylvain Gouttebroze , Heinz Preisig , Casper Welzel Andersen , Qian Shao , Heng Hu , Salim Belouettar
This paper presents a comprehensive approach to multiscale and multiphysics modelling of Solid Oxide Fuel Cells (SOFCs) by combining physics-based simulations with data-driven techniques. The modelling approach is tailored to specific end-use scenarios, ensuring that parameter selection aligns with operational requirements for accurate and efficient SOFC design. The study begins by constructing Representative Volume Elements (s) from reconstructed microstructures, applying first-order homogenisation to upscale material properties, which are then incorporated into a macroscopic SOFC model. A major contribution is the structured model definition based on physical process entities, using a graphical representation of model topology. This approach simplifies complex system interactions by representing capacities (such as reservoirs, distributed systems, and interfaces) and transport processes (e.g., diffusion, convection, thermal diffusion), thereby enhancing clarity and improving the accuracy of SOFC performance simulations.
A machine learning framework complements the physics-based modelling by training Artificial Neural Networks (ANNs) on simulation-generated datasets, delivering fast and reliable performance predictions. The study compares two optimisation techniques — Levenberg–Marquardt (LM) and Adam optimiser — demonstrating that LM is more effective for sparse datasets and smaller networks, whereas Adam performs better with large datasets and higher learning capacities. This hybrid modelling approach not only boosts predictive accuracy for SOFC performance but also lowers computational costs. By integrating physics-based simulations, machine learning, and a knowledge-driven simulation platform, this work advances SOFC design and optimisation, contributing to more efficient and cost-effective clean energy solutions.
Additionally, the paper introduces a knowledge-driven simulation platform to enhance data management and integrate multiscale, multiphysics models. The platform leverages structured data models and ontological mappings to improve semantic interoperability, allowing for dataset reuse and validation across different simulation stages. This ensures a robust, reusable, and well-organised workflow, facilitating large-scale simulations and improving overall modelling accuracy.
{"title":"Physics-based and data-driven modelling and simulation of Solid Oxide Fuel Cells","authors":"Eric Langner , Hamidreza Dehghani , Mohamed El Hachemi , Elias Belouettar–Mathis , Ahmed Makradi , Thomas Wallmersperger , Sylvain Gouttebroze , Heinz Preisig , Casper Welzel Andersen , Qian Shao , Heng Hu , Salim Belouettar","doi":"10.1016/j.ijhydene.2024.10.424","DOIUrl":"10.1016/j.ijhydene.2024.10.424","url":null,"abstract":"<div><div>This paper presents a comprehensive approach to multiscale and multiphysics modelling of Solid Oxide Fuel Cells (SOFCs) by combining physics-based simulations with data-driven techniques. The modelling approach is tailored to specific end-use scenarios, ensuring that parameter selection aligns with operational requirements for accurate and efficient SOFC design. The study begins by constructing Representative Volume Elements (<span><math><mi>RVE</mi></math></span>s) from reconstructed microstructures, applying first-order homogenisation to upscale material properties, which are then incorporated into a macroscopic SOFC model. A major contribution is the structured model definition based on physical process entities, using a graphical representation of model topology. This approach simplifies complex system interactions by representing capacities (such as reservoirs, distributed systems, and interfaces) and transport processes (e.g., diffusion, convection, thermal diffusion), thereby enhancing clarity and improving the accuracy of SOFC performance simulations.</div><div>A machine learning framework complements the physics-based modelling by training Artificial Neural Networks (ANNs) on simulation-generated datasets, delivering fast and reliable performance predictions. The study compares two optimisation techniques — Levenberg–Marquardt (LM) and Adam optimiser — demonstrating that LM is more effective for sparse datasets and smaller networks, whereas Adam performs better with large datasets and higher learning capacities. This hybrid modelling approach not only boosts predictive accuracy for SOFC performance but also lowers computational costs. By integrating physics-based simulations, machine learning, and a knowledge-driven simulation platform, this work advances SOFC design and optimisation, contributing to more efficient and cost-effective clean energy solutions.</div><div>Additionally, the paper introduces a knowledge-driven simulation platform to enhance data management and integrate multiscale, multiphysics models. The platform leverages structured data models and ontological mappings to improve semantic interoperability, allowing for dataset reuse and validation across different simulation stages. This ensures a robust, reusable, and well-organised workflow, facilitating large-scale simulations and improving overall modelling accuracy.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"96 ","pages":"Pages 962-983"},"PeriodicalIF":8.1,"publicationDate":"2024-11-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142744837","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 : 2024-11-28DOI: 10.1016/j.ijhydene.2024.11.366
Ying Li , Lang Liu , Xiao-Hui Wang , Chuanqi Chen , Meng Li , Jing-Yu Wang , Shu-Ni Li
The electrochemical upgrading of PET plastic wastes-to-hydrogen is an important conversion system for achieving sustainable, low-cost and scalable hydrogen production. Designing cost-effective and highly active dual-function electrocatalysts for the ethylene glycol (PET monomer) oxidation reaction (EGOR) and hydrogen evolution reaction (HER) is very crucial for achieving practical application of PET plastic wastes upgrading assisted electrochemical water splitting technology. Herein, a simple hydrothermal-phosphating two-step method is implemented to achieve ultrathin porous iron (Fe) doped nickel phosphide (Ni2P) nanosheets attached to the nickel foam (named as Fe–Ni2P/NF). Profiting from the ample active sites provided by the ultrathin structure, porous structure and the optimized electronic structure caused by Fe doping, Fe–Ni2P/NF exhibits predominant electroactivity for HER and EGOR. Additionally, PET plastic wastes hydrolysate electrolyzer is assembled by using Fe–Ni2P/NF as a dual-functional electrode for the co-generation of hydrogen and formate. The constructed Fe–Ni2P/NF||Fe–Ni2P/NF electrolyzer only requires an electrolysis potential of 1.39 V to derive 10 mA cm−2 current density, which is lower than that of conventional water splitting (1.55 V). This work would afford a reference for constructing cost-efficient and steady plastic-assisted water electrolysis bifunctional catalysts, and expands the field of energy-saving co-generation of value-added chemicals and hydrogen.
{"title":"Electrochemical upgrading of PET plastic wastes for hydrogen production using porous Fe–Ni2P nanosheets","authors":"Ying Li , Lang Liu , Xiao-Hui Wang , Chuanqi Chen , Meng Li , Jing-Yu Wang , Shu-Ni Li","doi":"10.1016/j.ijhydene.2024.11.366","DOIUrl":"10.1016/j.ijhydene.2024.11.366","url":null,"abstract":"<div><div>The electrochemical upgrading of PET plastic wastes-to-hydrogen is an important conversion system for achieving sustainable, low-cost and scalable hydrogen production. Designing cost-effective and highly active dual-function electrocatalysts for the ethylene glycol (PET monomer) oxidation reaction (EGOR) and hydrogen evolution reaction (HER) is very crucial for achieving practical application of PET plastic wastes upgrading assisted electrochemical water splitting technology. Herein, a simple hydrothermal-phosphating two-step method is implemented to achieve ultrathin porous iron (Fe) doped nickel phosphide (Ni<sub>2</sub>P) nanosheets attached to the nickel foam (named as Fe–Ni<sub>2</sub>P/NF). Profiting from the ample active sites provided by the ultrathin structure, porous structure and the optimized electronic structure caused by Fe doping, Fe–Ni<sub>2</sub>P/NF exhibits predominant electroactivity for HER and EGOR. Additionally, PET plastic wastes hydrolysate electrolyzer is assembled by using Fe–Ni<sub>2</sub>P/NF as a dual-functional electrode for the co-generation of hydrogen and formate. The constructed Fe–Ni<sub>2</sub>P/NF||Fe–Ni<sub>2</sub>P/NF electrolyzer only requires an electrolysis potential of 1.39 V to derive 10 mA cm<sup>−2</sup> current density, which is lower than that of conventional water splitting (1.55 V). This work would afford a reference for constructing cost-efficient and steady plastic-assisted water electrolysis bifunctional catalysts, and expands the field of energy-saving co-generation of value-added chemicals and hydrogen.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"96 ","pages":"Pages 794-802"},"PeriodicalIF":8.1,"publicationDate":"2024-11-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142744434","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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