International Journal of Hydrogen Energy最新文献

英文中文

Elucidation of the oxygen evolution reaction mechanism on platinum in an alkaline medium

IF 8.1 2区工程技术 Q1 CHEMISTRY, PHYSICAL

International Journal of Hydrogen Energy

Pub Date : 2025-04-09 DOI: 10.1016/j.ijhydene.2025.04.097

Shan Sahar , Ramanathan Srinivasan

The demand for green hydrogen is at an all-time high, and its zero emissions offer an attractive alternative to fossil fuels as a sustainable source of energy, thereby helping mitigate climate change and conserve fragile ecosystems. The anodic oxygen evolution reaction (OER) concurrent with hydrogen production at the cathode during water electrolysis exhibits sluggish kinetics, increasing the power requirements and hence the production cost. An understanding of the mechanism of the OER is key to engineering highly active and cost-effective electrodes to catalyze the OER. This study identifies the mechanism of the OER on a Pt electrode in an alkaline environment. Mass transfer effects are accounted for by employing an inverted rotating disc electrode to obtain anodic polarization data while eliminating the challenge of bubble-induced surface blockage encountered in traditional rotating disk electrodes. The NaOH concentration was varied from 5 mM to 50 mM, and the electrode rotational speed was also varied. These results confirm that the overall hydroxyl ion oxidation reaction is mass transfer limited at higher overpotentials. The traditional adsorbate evolution mechanism (AEM), which involves four steps with three intermediates, viz. ∗OH, ∗O and ∗OOH could not adequately model the potentiodynamic polarization results. A modified AEM, wherein an additional O₂ evolution pathway involving the recombination of two ∗O intermediates, was found to predict the experimental observations well. The variation in the fractional surface coverage of the intermediates with overpotential was also predicted. The model predicts that the main reaction pathway is the formation of ∗OH and ∗O, followed by the recombination of two ∗O species to release oxygen.

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引用次数: 0

Pore-scale heat transfer and flow characteristics of metal foam cooling flow field with three-dimensional ordered arrangement in PEMFC

IF 8.1 2区工程技术 Q1 CHEMISTRY, PHYSICAL

International Journal of Hydrogen Energy

Pub Date : 2025-04-09 DOI: 10.1016/j.ijhydene.2025.04.114

Fei Dong, Tao Sheng, Jie Ni, Sheng Xu

Proton Exchange Membrane Fuel Cells (PEMFCs) require an efficient cooling system for heat production during operation. Balancing good temperature uniformity and low pressure drop in PEMFCs is always challenging. In this paper, a novel metal foam cooling flow field with three-dimensional ordered arrangement in PEMFC is proposed. Computational Fluid Dynamics (CFD) numerical simulation is utilized to explore the influence of key parameters such as pore diameter, pore layer number, pore arrangement, and pore number on the heat transfer characteristics of PEMFC metal foam cooling flow field. The results show that the larger diameter facilitates the coolant flow heat transfer and cell performance, and the smaller diameter causes the deterioration of temperature, pressure, and cell performance. An increase in the pore layer number reduces the cell temperature and improves channel temperature uniformity. When the layer number is 2, the average temperature of the cooling channel decreases to 351.32 K, while the current density increases to 0.63 A/cm², but the pressure drop rate increases significantly. The four interval arrangement performs better in terms of heat transfer and flow characteristics compared to the single interval and double interval arrangements, with a reduction in pressure drop rate by 32.36 % and 13.80 %, respectively, and a more uniform pressure distribution. The reduction of pore number can effectively improve the temperature uniformity of the cooling channel and reduce the pressure drop.

{"title":"Pore-scale heat transfer and flow characteristics of metal foam cooling flow field with three-dimensional ordered arrangement in PEMFC","authors":"Fei Dong, Tao Sheng, Jie Ni, Sheng Xu","doi":"10.1016/j.ijhydene.2025.04.114","DOIUrl":"10.1016/j.ijhydene.2025.04.114","url":null,"abstract":"<div><div>Proton Exchange Membrane Fuel Cells (PEMFCs) require an efficient cooling system for heat production during operation. Balancing good temperature uniformity and low pressure drop in PEMFCs is always challenging. In this paper, a novel metal foam cooling flow field with three-dimensional ordered arrangement in PEMFC is proposed. Computational Fluid Dynamics (CFD) numerical simulation is utilized to explore the influence of key parameters such as pore diameter, pore layer number, pore arrangement, and pore number on the heat transfer characteristics of PEMFC metal foam cooling flow field. The results show that the larger diameter facilitates the coolant flow heat transfer and cell performance, and the smaller diameter causes the deterioration of temperature, pressure, and cell performance. An increase in the pore layer number reduces the cell temperature and improves channel temperature uniformity. When the layer number is 2, the average temperature of the cooling channel decreases to 351.32 K, while the current density increases to 0.63 A/cm<sup>2</sup>, but the pressure drop rate increases significantly. The four interval arrangement performs better in terms of heat transfer and flow characteristics compared to the single interval and double interval arrangements, with a reduction in pressure drop rate by 32.36 % and 13.80 %, respectively, and a more uniform pressure distribution. The reduction of pore number can effectively improve the temperature uniformity of the cooling channel and reduce the pressure drop.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"126 ","pages":"Pages 133-146"},"PeriodicalIF":8.1,"publicationDate":"2025-04-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143800672","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

Highly efficient and stable Ru-doped LaFeO3 based perovskite catalyst for green hydrogen production via ammonia decomposition

IF 8.1 2区工程技术 Q1 CHEMISTRY, PHYSICAL

International Journal of Hydrogen Energy

Pub Date : 2025-04-09 DOI: 10.1016/j.ijhydene.2025.03.414

Jun-Hee Jeong , Seojin Lee , Ju Young Kim , Byeong Wan Kwon

Recently, ammonia has emerged as a valuable hydrogen carrier material. Previous studies have pioneered to use perovskite catalyst for hydrogen production from ammonia. Following the trend, numerous studies mainly focused on modifying structure and composition of perovskite catalyst due to their desirable properties. In this study, Ru-doped LaFeO₃ perovskite catalysts were investigated to reduce Ru contents and enhance catalytic activity. These catalysts were coated on the alumina pellet to utilize in the process due to protecting back pressure in the reactor and improving performance. The Ru-doped LaFeO₃ based perovskite structure was successfully synthesized with sodium bicarbonate sol-gel method, and 5, 7, and 10 mol% ruthenium was appropriately replaced instead of B-site iron according to main peak shifting on XRD analysis. The 10 mol% Ru-doped (LaFe_0·9Ru_0·1O₃) alumina supported catalyst achieved over 80 % ammonia conversion at 450 °C and maintained an average ammonia conversion rate of over 99 % stably during 145 h at 500 °C. Especially, the Fe_9·45Ru_0.55 bimetallic particles were demonstrated by XRD, XPS and TEM analysis on after-tested catalyst surface, and those are improving catalytic activity gradually. This study provides a promising catalyst for ammonia decomposition utilizing the perovskite structure with lower Ru content compared to the other Ru-based catalysts.

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引用次数: 0

Numerical analysis of temperature rise and drop during hydrogen filling and emptying in a 70 MPa hydrogen storage cylinder

IF 8.1 2区工程技术 Q1 CHEMISTRY, PHYSICAL

International Journal of Hydrogen Energy

Pub Date : 2025-04-09 DOI: 10.1016/j.ijhydene.2025.04.115

Jianye Zhang , Yisu Jin , Mingjue Zhou , Kefeng Zhai , Yuebing Li

Hydrogen energy, as a clean and efficient energy source, has been widely applied in the transportation sector. To enhance the efficiency of hydrogen usage, compressed gas storage and transport methods are commonly employed, and the safety of hydrogen storage cylinders has become a focal point of numerous scholars. However, current research predominantly focuses on the temperature rise during hydrogen filling, with less attention given to the temperature drop during hydrogen emptying. Therefore, this paper aims to conduct a comprehensive study on the hydrogen filling and emptying processes in vehicle-mounted hydrogen storage cylinders, exploring the impacts of various factors (filling/emptying rate, gas source temperature, environmental temperature, residual pressure in the cylinder) on the temperature rise and drop of the cylinders. Additionally, a method for predicting temperature will be proposed to guide the practical application of hydrogen filling and emptying processes.

引用次数: 0

Comparative analysis of syngas production from 11 different biomass feedstocks in a fixed-bed downdraft gasifier

IF 8.1 2区工程技术 Q1 CHEMISTRY, PHYSICAL

International Journal of Hydrogen Energy

Pub Date : 2025-04-09 DOI: 10.1016/j.ijhydene.2025.04.064

Mohammad Mahdi Mohebali, Ali Ashrafizadeh

This study compares syngas production from 11 biomass types, including algae, canola residue, chicken manure, pig manure, municipal solid waste, sewage sludge, wood chips, wheat straw, food waste, empty fruit bunch, and sunflower residue, using a fixed-bed downdraft gasifier. The gasification process is simulated in Aspen Plus V12.1 to analyze the effects of biomass composition, reactor temperature, air-to-fuel ratio, and oxidizing agent on syngas characteristics. The results indicate that biomass composition significantly affects the heating value, with variations of up to twofold between feedstocks. Increasing reactor temperature decreases hydrogen and carbon dioxide while increasing carbon monoxide. The optimal temperature for maximizing hydrogen yield ranges from 619 °C for pig manure to 755 °C for wheat straw. Empty fruit bunch produces the highest hydrogen content (30 vol %), while pig manure yields the lowest (16 vol %). Solid residue formation varies, with sewage sludge leaving the highest (11 wt %) and sunflower residue the lowest (0.39 wt %). These findings optimize biomass gasification for efficient hydrogen production and highlight the significance of feedstock comparison in advancing sustainable energy solutions.

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引用次数: 0

Hydrophilic modified polyphenylene sulfide fabric separator for efficient alkaline water electrolysis

IF 8.1 2区工程技术 Q1 CHEMISTRY, PHYSICAL

International Journal of Hydrogen Energy

Pub Date : 2025-04-09 DOI: 10.1016/j.ijhydene.2025.03.401

Yunyong Tang , Wen Song , Miao Guo , Guofeng Yang , Kunmei Su , Maliang Zhang , Zhenhuan Li

The separator plays a crucial role in alkaline water electrolysis (AWE) by conducting hydroxide ions and separating gases. Therefore, developing a high-performance AWE separator is of significant importance. This study proposes a method for preparing a hydrophilic polyphenylene sulfide (PPS) fabric separator. Firstly, PPS fabric separator undergoes a chloromethylation reaction to graft chloromethyl groups onto its surface, increasing its reactivity. Subsequently, chemical grafting introduces imidazole groups and quaternary ammonium groups to improve hydrophilicity. The modified PPS separator can rapidly conduct hydroxide ions and facilitate gas separation in alkaline solutions. Experimental results show that the modified PPS separator exhibits an area resistance of 0.219 Ω cm² in 30 wt % KOH solution at 80 °C, which is a 74.86 % reduction compared to the unmodified separator. Additionally, the bubble point pressure is enhanced by 2.46 %. During alkaline electrolysis experiments in a custom zero-gap electrolyzer, the modified separator demonstrates a current density of 493 mA cm⁻² at a voltage of 2 V and maintains the stable performance after 500 h of operation, indicating the excellent electrolytic stability. This study provides a feasible reference for the industrial production of low-resistance, high gas-tightness AWE hydrogen production separators.

{"title":"Hydrophilic modified polyphenylene sulfide fabric separator for efficient alkaline water electrolysis","authors":"Yunyong Tang , Wen Song , Miao Guo , Guofeng Yang , Kunmei Su , Maliang Zhang , Zhenhuan Li","doi":"10.1016/j.ijhydene.2025.03.401","DOIUrl":"10.1016/j.ijhydene.2025.03.401","url":null,"abstract":"<div><div>The separator plays a crucial role in alkaline water electrolysis (AWE) by conducting hydroxide ions and separating gases. Therefore, developing a high-performance AWE separator is of significant importance. This study proposes a method for preparing a hydrophilic polyphenylene sulfide (PPS) fabric separator. Firstly, PPS fabric separator undergoes a chloromethylation reaction to graft chloromethyl groups onto its surface, increasing its reactivity. Subsequently, chemical grafting introduces imidazole groups and quaternary ammonium groups to improve hydrophilicity. The modified PPS separator can rapidly conduct hydroxide ions and facilitate gas separation in alkaline solutions. Experimental results show that the modified PPS separator exhibits an area resistance of 0.219 Ω cm<sup>2</sup> in 30 wt % KOH solution at 80 °C, which is a 74.86 % reduction compared to the unmodified separator. Additionally, the bubble point pressure is enhanced by 2.46 %. During alkaline electrolysis experiments in a custom zero-gap electrolyzer, the modified separator demonstrates a current density of 493 mA cm<sup>−2</sup> at a voltage of 2 V and maintains the stable performance after 500 h of operation, indicating the excellent electrolytic stability. This study provides a feasible reference for the industrial production of low-resistance, high gas-tightness AWE hydrogen production separators.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"126 ","pages":"Pages 66-76"},"PeriodicalIF":8.1,"publicationDate":"2025-04-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143800666","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

Microstructure and first hydrogenation properties of Ti30V60M10 + 4 wt% Zr (M=Fe, Co, and Ni)

IF 8.1 2区工程技术 Q1 CHEMISTRY, PHYSICAL

International Journal of Hydrogen Energy

Pub Date : 2025-04-09 DOI: 10.1016/j.ijhydene.2025.04.001

Chourouk Kefi, Jacques Huot

The hydrogenation properties of Ti₃₀V₆₀M₁₀ (M = Fe, Co, and Ni) + 4 wt% Zr alloys at room temperature were investigated. The alloys were tested in their as-cast state and after being heat treated at 300 °C under a dynamic vacuum for 2 h. All as-cast alloys presented a two-phase microstructure consisting of a BCC matrix and a C14 secondary bright phase rich in Zr and M atoms. The BCC structure transformed into a face-centred cubic (FCC) main phase upon hydrogenation, while the C14 phase also hydrogenate but kept its structure. The as-cast alloys showed slow hydrogen absorption initially, but heat treatment reduced incubation times and improved hydrogenation kinetics for all compositions.

引用次数: 0

Exploring Zr-based perovskite hydrides XZrH3 (X: Na/Cs) for hydrogen storage applications: Insights from first-principles DFT calculations

IF 8.1 2区工程技术 Q1 CHEMISTRY, PHYSICAL

International Journal of Hydrogen Energy

Pub Date : 2025-04-09 DOI: 10.1016/j.ijhydene.2025.03.461

Abdellah Hammad , Tesfaye Abebe Geleta , Manan Ali , Nabil Bouri

Perovskite hydrides have recently received significant attention as materials for hydrogen storage applications, offering potential advancements in addressing the energy crisis. In this study, we investigated the structural, mechanical, thermodynamic, electronic, magnetic, and optical properties as well as the hydrogen storage performance of the perovskite hydrides XZrH₃ (X: Na/Cs) using density functional theory (DFT). The negative values of the formation enthalpies, along with the assessment of the elastic constants and thermodynamic parameters, both NaZrH₃ and CsZrH₃, exhibit stability in the cubic structure, and their zero-band gap energy validates their metallic nature. The mechanical properties indicated that the materials exhibited ionic bonding along with exceptional hardness behavior, with NaZrH₃ demonstrating greater stiffness than CsZrH₃. Furthermore, both the materials exhibited anisotropic properties. The magnetic characteristics of these compounds were thoroughly examined and determined to be non-magnetic, and their dynamic stability was evaluated by analyzing the phonon dispersion curve. The computed gravimetric hydrogen storage capacities for NaZrH₃ and CsZrH₃ are 2.51 wt% and 1.31 wt%, respectively. These results provide valuable insights into XZrH₃ (X: Na/Cs) materials as promising candidates for efficient hydrogen storage.

{"title":"Exploring Zr-based perovskite hydrides XZrH3 (X: Na/Cs) for hydrogen storage applications: Insights from first-principles DFT calculations","authors":"Abdellah Hammad , Tesfaye Abebe Geleta , Manan Ali , Nabil Bouri","doi":"10.1016/j.ijhydene.2025.03.461","DOIUrl":"10.1016/j.ijhydene.2025.03.461","url":null,"abstract":"<div><div>Perovskite hydrides have recently received significant attention as materials for hydrogen storage applications, offering potential advancements in addressing the energy crisis. In this study, we investigated the structural, mechanical, thermodynamic, electronic, magnetic, and optical properties as well as the hydrogen storage performance of the perovskite hydrides XZrH<sub>3</sub> (X: Na/Cs) using density functional theory (DFT). The negative values of the formation enthalpies, along with the assessment of the elastic constants and thermodynamic parameters, both NaZrH<sub>3</sub> and CsZrH<sub>3</sub>, exhibit stability in the cubic structure, and their zero-band gap energy validates their metallic nature. The mechanical properties indicated that the materials exhibited ionic bonding along with exceptional hardness behavior, with NaZrH<sub>3</sub> demonstrating greater stiffness than CsZrH<sub>3</sub>. Furthermore, both the materials exhibited anisotropic properties. The magnetic characteristics of these compounds were thoroughly examined and determined to be non-magnetic, and their dynamic stability was evaluated by analyzing the phonon dispersion curve. The computed gravimetric hydrogen storage capacities for NaZrH<sub>3</sub> and CsZrH<sub>3</sub> are 2.51 wt% and 1.31 wt%, respectively. These results provide valuable insights into XZrH<sub>3</sub> (X: Na/Cs) materials as promising candidates for efficient hydrogen storage.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"126 ","pages":"Pages 22-35"},"PeriodicalIF":8.1,"publicationDate":"2025-04-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143800668","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

Proton exchange membrane fuel cell fueled by impure hydrogen and air: A review

IF 8.1 2区工程技术 Q1 CHEMISTRY, PHYSICAL

International Journal of Hydrogen Energy

Pub Date : 2025-04-09 DOI: 10.1016/j.ijhydene.2025.03.376

Zhiquan Yao , Biao Xiao , Shanshan Cai , Zhengkai Tu

Proton exchange membrane fuel cells (PEMFCs) technology has been rapidly developed in recent years. However, the high cost of high-purity hydrogen/air has hindered their further development. On-site hydrogen production and direct input of hydrogen-rich gas can solve this challenge, but impurities in them may hinder their performance and durability. In this paper, we synthesize recent experimental studies, computational models, and real-world case studies to systematically investigate the challenges and solutions to the use of impure hydrogen PEMFCs, addressing three main objectives: (1) identifying the main sources of impurities and their poisoning mechanisms; (2) evaluating mitigation strategies for anode/cathode contamination; and (3) assessing the practical applications of PEMFCs fueled by impure hydrogen. Among them, CO, H₂S and NH₃ at the anode and SO₂ and NO_x at the cathode are toxic to PEMFCs. In terms of mitigation strategies, HT-PEMFC can improve CO tolerance by simply changing the material of the electrolyte membrane, which is currently the most mature and widely used. The demand for pure hydrogen has been reduced by ammonia-hydrogen fuel cells, methanol and methane-to-hydrogen PEMFCs, which show great environmental potential and value for transportation and home heating. The paper concludes with recommendations for future research and policy.

{"title":"Proton exchange membrane fuel cell fueled by impure hydrogen and air: A review","authors":"Zhiquan Yao , Biao Xiao , Shanshan Cai , Zhengkai Tu","doi":"10.1016/j.ijhydene.2025.03.376","DOIUrl":"10.1016/j.ijhydene.2025.03.376","url":null,"abstract":"<div><div>Proton exchange membrane fuel cells (PEMFCs) technology has been rapidly developed in recent years. However, the high cost of high-purity hydrogen/air has hindered their further development. On-site hydrogen production and direct input of hydrogen-rich gas can solve this challenge, but impurities in them may hinder their performance and durability. In this paper, we synthesize recent experimental studies, computational models, and real-world case studies to systematically investigate the challenges and solutions to the use of impure hydrogen PEMFCs, addressing three main objectives: (1) identifying the main sources of impurities and their poisoning mechanisms; (2) evaluating mitigation strategies for anode/cathode contamination; and (3) assessing the practical applications of PEMFCs fueled by impure hydrogen. Among them, CO, H<sub>2</sub>S and NH<sub>3</sub> at the anode and SO<sub>2</sub> and NO<sub>x</sub> at the cathode are toxic to PEMFCs. In terms of mitigation strategies, HT-PEMFC can improve CO tolerance by simply changing the material of the electrolyte membrane, which is currently the most mature and widely used. The demand for pure hydrogen has been reduced by ammonia-hydrogen fuel cells, methanol and methane-to-hydrogen PEMFCs, which show great environmental potential and value for transportation and home heating. The paper concludes with recommendations for future research and policy.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"126 ","pages":"Pages 110-124"},"PeriodicalIF":8.1,"publicationDate":"2025-04-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143800671","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

Flashback in diluted hydrogen flames

IF 8.1 2区工程技术 Q1 CHEMISTRY, PHYSICAL

International Journal of Hydrogen Energy

Pub Date : 2025-04-09 DOI: 10.1016/j.ijhydene.2025.04.029

Seunghyun Jo

Flashback has been studied experimentally in premixed hydrogen/air with a dilution gas. The experiments, finding a critical velocity that occurs boundary laser flashback, were conducted in a quartz glass tube with an inner diameter of 3, 4, 5, and 6 mm at the equivalence ratio between 0.6 and 3.1. N₂, Ar, He, and CO₂ were used as a dilution gas. The concentration of the dilution gas in the fuel mixture was 15 and 30 %. An infrared camera monitored flame development in the tube. The critical velocity gradient at the boundary of the gas stream, where the flashback is observed, has been systematically investigated and determined through experimental methods for each specific set of experimental conditions. The critical velocity gradient is independent of the tube diameter and dependent on the equivalence ratio, the dilution fraction, and the dilution gas. Generally, the magnitude of the flashback velocity gradient follows an order: undiluted hydrogen, Ar dilution, He dilution, N₂ dilution, and CO₂ dilution flames. The flashback velocity gradient reduces with increasing the dilution gas concentration. An experimental equation for the flashback velocity gradient indicates that the flashback at the boundary in the hydrogen flames is influenced by both the laminar flame speed and the Lewis number.

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