China, People’s Republic
Numerical Simulation of Hydrogen Release From High-Pressure Storage Vessel
Sep 2009
Publication
In this paper the deflagration region and characteristics of the hydrogen flow which was generated by high-pressure hydrogen discharge from storage vessels were studied. A 3-D analytic model is established based on the species transfer model and the SST k −ω turbulence model. The established model is applied to the research of the flow characteristics of the hydrogen under-expanded jet under different filling pressures of 30 MPa 35 MPa and 40 MPa respectively. The evolution process of hydrogen combustible cloud is analyzed under the filling pressure of 30 MPa. It is revealed that a supersonic jet is formed after the high-pressure hydrogen discharge outlet In the vicinity of the Mach disk the hydrogen jet velocity and temperature reach the maximum values and the variation of filling pressure has little effect on the peak values of the hydrogen jet flow velocity and temperature during the considered pressure range. In the rear of the Mach disk the variation rates of the hydrogen flow velocity and temperature are in inversely proportional to the hydrogen filling pressure. At the preliminary stage the discharged hydrogen is apple-shaped which expands along the radial and then the axial growth rate of the hydrogen cloud increases with the passage of time.
Explosion Venting of Rich Hydrogen-air Mixtures in a Cylindrical Vessel with Two Symmetrical Vents
Oct 2015
Publication
The safety issues related to explosion venting of hydrogen-air mixtures are significant and deserve more detailed investigation. Vented hydrogen-air explosion has been studied extensively in vessels with a single vent. However little attention has been paid to the cases with more than one vent. In this paper experiments about explosion venting of rich hydrogen-air mixtures were conducted in a cylindrical vessel with two symmetrical vents to investigate the effect of vent area and distribution on pressure build up and flame behaviours. Venting accelerates the flame front towards the vent but has nearly no effect on the opposite side. The maximum internal overpressure decreases and the maximum external flame length increases with the increase of vent area. Two pressure peaks can be identified outside of vessel which correspond to the external explosion and the burnt gas jet respectively. Compared with single vent two vents with same total vent area leads to nearly unchanged maximum internal and external overpressure but much smaller external flame length.
Catalysis of Oxides in Hydrogen Generation by the Reaction of Al with Water
Sep 2013
Publication
Hydrogen generation by the reaction of pure Al powder in water with the addition of Al(OH)3 γ- Al2O3 α-Al2O3 or TiO2 at mild temperatures was investigated. It was found that the reaction of Al with water is promoted and the reaction induction time decreases greatly by the above hydroxide and oxides. X-ray diffraction analyses revealed that the hydroxide and oxide phases have no any change during the Al-water reaction indicating that they are just as catalysts to assist the reaction of Al with water. A possible mechanism was proposed which shows that hydroxide and oxides could dissociate water molecules and promote the hydration of the passive oxide film on Al particle surfaces.
Reversible Ammonia-based and Liquid Organic Hydrogen Carriers for High-density Hydrogen Storage: Recent Progress
Feb 2019
Publication
Liquid hydrogen carriers are considered to be attractive hydrogen storage options because of their ease of integration into existing chemical transportation infrastructures when compared with liquid or compressed hydrogen. The development of such carriers forms part of the work of the International Energy Agency Task 32: Hydrogen-Based Energy Storage. Here we report the state-of-the-art for ammonia-based and liquid organic hydrogen carriers with a particular focus on the challenge of ensuring easily regenerable high-density hydrogen storage.
High CO2 Absorption Capacity of Metal-Based Ionic Liquids: A Molecular Dynamics Study
Apr 2020
Publication
The absorption of CO2 is of importance in carbon capture utilization and storage technology for greenhouse gas control. In the present work we clarified the mechanism of how metal-based ionic liquids (MBILs) Bmim[XCln]m (X is the metal atom) enhance the CO2 absorption capacity of ILs via performing molecular dynamics simulations. The sparse hydrogen bond interaction network constructed by CO2 and MBILs was identified through the radial distribution function and interaction energy of CO2-ion pairs which increase the absorption capacity of CO2 in MBILs. Then the dynamical properties including residence time and self-diffusion coefficient confirmed that MBILs could also promote the diffusion process of CO2 in ILs. That's to say the MBILs can enhance the CO2 absorption capacity and the diffusive ability simultaneously. Based on the analysis of structural energetic and dynamical properties the CO2 absorption capacity of MBILs increases in the order Cl− → [ZnCl4]2-→ [CuCl4]2-→ [CrCl4]- → [FeCl4]- revealing the fact that the short metal–Cl bond length and small anion volume could facilitate the performance of CO2 absorbing process. These findings show that the metal–Cl bond length and effective volume of the anion can be the effective factors to regulate the CO2 absorption process which can also shed light on the rational molecular design of MBILs for CO2 capture and other key chemical engineering processes such as IL-based gas sensors nano-electrical devices and so on.
Experimental Validation of Hydrogen Fuel−Cell and Battery−Based Hybrid Drive without DC−−DC for Light Scooter under Two Typical Driving Cycles
Dec 2021
Publication
Faced with key obstacles such as the short driving range long charging time and limited volume allowance of battery−−powered electric light scooters in Asian cities the aim of this study is to present a passive fuel cell/battery hybrid system without DC−−DC to ensure a compact volume and low cost. A novel topology structure of the passive fuel cell/battery power system for the electric light scooter is proposed and the passive power system runs only on hydrogen. The power performance and efficiency of the passive power system are evaluated by a self−developed test bench before installation into the scooters. The results of this study reveal that the characteristics of stable power output quick response and the average efficiency are as high as 88% during the Shanghainese urban driving cycle and 89.5% during the Chinese standard driving cycle. The results pre‐ sent the possibility that this passive fuel cell/battery hybrid powertrain system without DC−DC is practical for commercial scooters.
Improvement of Low Temperature Activity and Stability of Ni Catalysts with Addition of Pt for Hydrogen Production Via Steam Reforming of Ethylene Glycol
Nov 2018
Publication
Hydrogen production by steam reforming of ethylene glycol (EG) at 300 °C was investigated over SiO2 and CeO2 supported Pt–Ni bimetallic catalysts prepared by incipient wetness impregnation methods. It was observed that impregnation sequence of Pt and Ni can affect the performance of catalysts apparently. Catalyst with Pt first and then Ni addition showed higher EG conversion and H2 yield owing to the Ni enrichment on the surface and the proper interaction between Pt and Ni. It was observed that although SiO2 supported catalysts exhibited better activity and H2 selectivity CeO2 supported ones had better stability. This is attributed to the less coke formation on CeO2. Increasing Pt/Ni ratio enhanced the reaction activity and Pt3–Ni7 catalysts with 3 wt% Pt and 7 wt% Ni showed the highest activity and stability. Ni surficial enrichment facilitated the C—C bond rupture and water gas shift reactions; and Pt addition inhibited methanation reaction. Electron transfer and hydrogen spillover from Pt to Ni suppressed carbon deposition. These combined effects lead to the excellent performance of Pt3–Ni7 supported catalysts.
New China National Standard on Safety of Hydrogen Systems- Keys for Understanding and Use
Sep 2011
Publication
Development of regulations codes and standards on hydrogen safety is a primary ingredient in overcoming barriers to widespread use of hydrogen energy. Key points of the new China National Standard Essential safety requirements for hydrogen systems metal hydrogen compatibility and risk control of flammability and explosion are discussed. Features of the new standard such as safety requirements for slush hydrogen systems and solid state hydrogen storage systems and introductions for hydrogen production by renewable energy are analyzed in this paper.
Effect of the Position and the Area of the Vent on the Hydrogen Dispersion in a Naturally Ventilated Cubiod Space with One Vent on the Side Wall
Dec 2021
Publication
The design of ventilation system has implications for the safety of life and property and the development of regulations and standards in the space with the hydrogen storage equipment. The impact of both the position and the area of a single vent on the dispersion of hydrogen in a cuboid space (with dimensions L x W x H ¼ 2.90 0.74 1.22 m) is investigated with Computational Fluid Dynamics (CFD) in this study. Nine positions of the vent were compared for the leakage taking place at the floor to understand the gas dispersion. It was shown a cloud of 1% mole fraction has been formed near the ceiling of the space in less than 40 s for different positions of the vent which can activate hydrogen sensors. The models show that the hydrogen is removed more effectively when the vent is closer to the leakage position in the horizontal direction. The study demonstrates that the vent height of 1.00 m is safer for the particular scenario considered. The area of the vent has little effect on the hydrogen concentration for all vent positions when the area of the vent is less than 0.045 m2 and the height of the vent is less than 0.61 m.
Risk Analysis on Mobile Hydrogen Refueling Stations in the World Expo Shanghai
Sep 2013
Publication
During the World Expo Shanghai there were one hundred fuel-cell sight-seeing cars in operation at the Expo Site. The sight-seeing cars were not allowed to drive out of the Expo Site and the stationary hydrogen refuelling station was not permitted to build at the Expo Site for the sake of safety. A flexible solution to refuel the cars was the application of mobile hydrogen refuelling stations. To better understand the hazards and risks associated with the mobile hydrogen refueling stations a risk analysis was preformed to improve the safety of the operations. The risks to the station personnel and to the public were discussed separately. Results show that the stationary risks of the mobile stations to the personnel and refueling customers are lower than the risk acceptance criteria over an order of magnitude so occupational risks and risks to customers are completely acceptable. The third party risks can be acceptable as long as the appropriate mitigation measures are implemented especially well designed parking area and operation time. Leak from boosters is the main risk contributor to the stationary risks because of its highest failure rates according to the generic data and its worst harm effects based on the consequence evaluations. As for the road risks of the mobile stations they can be acceptable as long as the appropriate mitigation measures are implemented especially well-designed moving path and transportation time.
Numerical Simulation of Homogenous/Inhomogeneous Hydrogen-air Explosion in a Rectangular Channel
Sep 2019
Publication
Hydrogen is one of the promising energy sources in the future because it has the advantages of clean combustion products high efficiency and renewable energy. However hydrogen has the characteristics of low ignition energy wide flammable range (4% -75%) and fast burning flame speed which can cause explosion hazards. Typically the accidental release of hydrogen into confined or semi confined enclosures can often lead to a flammable hydrogen-air mixture with concentration gradients and possible flame acceleration and deflagration-to-detonation transition (DDT). The present study aims to test the capability of our in-house density-based solver ExplosionEngFoam for flame acceleration (FA) and deflagration-to-detonation transition (DDT) in homogenous/inhomogeneous hydrogen-air mixtures. The solver is based on the open source computational fluid dynamics (CFD) platform OpenFOAM and uses the modified Weller et al.’s combustion model taking into account LD and RT instabilities turbulence and non-unity Lewis number etc. Numerical simulations were conducted for both homogeneous and inhomogeneous mixtures in a long enclosed channel with 5.4 m in length and 0.06 m in height. The predictions demonstrate good quantitative agreement with the experimental measurements in flame tip position speed and pressure profiles by Boeck et al. The flow characteristics such as flame fine structure wave evolution etc. were also discussed.
A Numerical Simulation on the Leakage Event of a High-Pressure Hydrogen Dispenser
Dec 2021
Publication
For the sake of the increasing demand of hydrogen fuel cell vehicles there are more concerns on the safety of hydrogen refueling stations. As one of the key pieces of equipment the hydrogen dispenser has drawn attention on this aspect since it involves massive manual operations and may be bothered by a high probability of failure. In this paper a numerical study is conducted to simulate the possible leakage events of the hydrogen dispenser based on a prototype in China whose working pressure is 70 MPa. The leakage accident is analyzed with respect to leakage sizes leak directions and the time to stop the leakage. It is found that due to the large mass flow rate under such high pressure the leak direction and the layout of the components inside the dispenser become insignificant and the ignitable clouds will form inside the dispenser in less than 1 s if there is a leakage of 1% size of the main tube. The ignitable clouds will form near the vent holes outside the dispenser which may dissipate quickly if the leakage is stopped. On the other hand the gas inside the dispenser will remain ignitable for a long time which asks for a design with no possible ignition source inside. The results can be useful in optimizing the design of the dispenser regarding the reaction time and sensitivity requirements of the leakage detector the size and amount of vent holes etc.
Numerical Simulation of The Laminar Hydrogen Flame In The Presence of a Quenching Mesh
Sep 2009
Publication
Recent studies of J.H. Song et al. and S.Y. Yang et al. have been concentrated on mitigation measures against hydrogen risk. The authors have proposed installation of quenching meshes between compartments or around the essential equipment in order to contain hydrogen flames. Preliminary tests were conducted which demonstrated the possibility of flame extinction using metallic meshes of specific size.<br/>Considerable amount of numerical and theoretical work on flame quenching phenomenon has been performed in the second half of the last century and several techniques and models have been proposed to predict the quenching phenomenon of the laminar flame system. Most of these models appreciated the importance of heat loss to the surroundings as a primary cause of extinguishment in particular the heat transfer by conduction to the containing wall. The supporting simulations predict flame-quenching structure either between parallel plates (quenching distance) or inside a tube of a certain diameter (quenching diameter).<br/>In the present study the flame quenching is investigated assuming the laminar hydrogen flame propagating towards a quenching mesh using two-dimensional configuration and the earlier developed models. It is shown that due to a heat loss to a metallic grid the flame can be quenched numerically.
Dependence of Hydrogen Embrittlement on Hydrogen in the Surface Layer in Type 304 Stainless Steel
Sep 2013
Publication
Hydrogen embrittlement (HE) together with the hydrogen transport behaviour in hydrogen-charged type 304 stainless steel was investigated by combined tension and outgassing experiments. The hydrogen release rate and HE of hydrogen-charged 304 specimens increase with the hydrogen pressure for hydrogen-charging (or hydrogen content) and almost no HE is observed below the hydrogen content of 8.5 mass ppm. Baking at 433 K for 48 h can eliminate HE of the hydrogen-charged 304 specimen while removing the surface layer will restore HE which indicates that hydrogen in the surface layer plays the primary role in HE. Scanning electron microscopy (SEM) and scanning tunnel microscopy (STM) observations show that particles attributed to the strain-induced α′ martensite formation break away from the matrix and the small holes form during deformation on the specimen surface. With increasing strain the connection among small holes along {111} slip planes of austenite will cause crack initiation on the surface and then the hydrogen induced crack propagates from the surface to interior.
Digital Navigation of Energy–structure–function Maps for Hydrogen-bonded Porous Molecular Crystals
Feb 2021
Publication
Energy–structure–function (ESF) maps can aid the targeted discovery of porous molecular crystals by predicting the stable crystalline arrangements along with their functions of interest. Here we compute ESF maps for a series of rigid molecules that comprise either a triptycene or a spiro-biphenyl core functionalized with six different hydrogen-bonding moieties. We show that the positioning of the hydrogen-bonding sites as well as their number has a profound influence on the shape of the resulting ESF maps revealing promising structure–function spaces for future experiments. We also demonstrate a simple and general approach to representing and inspecting the high-dimensional data of an ESF map enabling an efficient navigation of the ESF data to identify ‘landmark’ structures that are energetically favourable or functionally interesting. This is a step toward the automated analysis of ESF maps an important goal for closed-loop autonomous searches for molecular crystals with useful functions.
Two-Stage Energy Management Strategies of Sustainable Wind-PV-Hydrogen-Storage Microgrid Based on Receding Horizon Optimization
Apr 2022
Publication
Hydrogen and renewable electricity-based microgrid is considered to be a promising way to reduce carbon emissions promote the consumption of renewable energies and improve the sustainability of the energy system. In view of the fact that the existing day-ahead optimal operation model ignores the uncertainties and fluctuations of renewable energies and loads a two-stage energy management model is proposed for the sustainable wind-PV-hydrogen-storage microgrid based on receding horizon optimization to eliminate the adverse effects of their uncertainties and fluctuations. In the first stage the day-ahead optimization is performed based on the predicted outpower of WT and PV the predicted demands of power and hydrogen loads. In the second stage the intra-day optimization is performed based on the actual data to trace the day-ahead operation schemes. Since the intra-day optimization can update the operation scheme based on the latest data of renewable energies and loads the proposed two-stage management model is effective in eliminating the uncertain factors and maintaining the stability of the whole system. Simulations show that the proposed two-stage energy management model is robust and effective in coordinating the operation of the wind-PV-hydrogen-storage microgrid and eliminating the uncertainties and fluctuations of WT PV and loads. In addition the battery storage can reduce the operation cost alleviate the fluctuations of the exchanged power with the power grid and improve the performance of the energy management model.
Optimized Operation Plan for Hydrogen Refueling Station with On-Site Electrolytic Production
Dec 2022
Publication
The cost reduction of hydrogen refueling stations (HRSs) is very important for the popularization of hydrogen vehicles. This paper proposes an optimized operation algorithm based on hydrogen energy demand estimation for on-site hydrogen refueling stations. Firstly the user’s hydrogen demand was estimated based on the simulation of their hydrogenation behavior. Secondly mixed integer linear programming method was used to optimize the operation of the hydrogen refueling station to minimize the unit hydrogen energy cost by using the peak–valley difference of the electricity price. We then used three typical scenario cases to evaluate the optimized operation method. The results show that the optimized operation method proposed in this paper can effectively reduce the rated configuration of electrolyzer and storage tank for HRS and can significantly reduce the unit hydrogen energy cost considering the construction cost compared with the traditional method. Therefore the optimization operation method of a local hydrogen production and hydrogen refueling station proposed in this paper can reduce the cost of a hydrogen refueling station and accelerate the popularization of hydrogen energy vehicles. Finally the scope of application of the proposed optimization method and the influence of the variation of the electricity price curve and the unit cost of the electrolyzer are discussed.
Optimal Scheduling of Electricity-Hydrogen Coupling Virtual Power Plant Considering Hydrogen Load Response
Mar 2024
Publication
With the rapid development of hydrogen production by water electrolysis the coupling between the electricity-hydrogen system has become closer providing an effective way to consume surplus new energy generation. As a form of centralized management of distributed energy resources virtual power plants can aggregate the integrated energy production and consumption segments in a certain region and participate in electricity market transactions as a single entity to enhance overall revenue. Based on this this paper proposes an optimal scheduling model of an electricity-hydrogen coupling virtual power plant (EHC-VPP) considering hydrogen load response relying on hydrogen to ammonia as a flexibly adjustable load-side resource in the EHC-VPP to enable the VPP to participate in the day-ahead energy market to maximize benefits. In addition this paper also considers the impact of the carbon emission penalty to practice the green development concept of energy saving and emission reduction. To validate the economy of the proposed optimization scheduling method in this paper the optimization scheduling results under three different operation scenarios are compared and analyzed. The results show that considering the hydrogen load response and fully exploiting the flexibility resources of the EHC-VPP can further reduce the system operating cost and improve the overall operating efficiency.
Combustion Features of CH4/NH3/H2 Ternary Blends
Mar 2022
Publication
The use of so-called “green” hydrogen for decarbonisation of the energy and propulsion sectors has attracted considerable attention over the last couple of decades. Although advancements are achieved hydrogen still presents some constraints when used directly in power systems such as gas turbines. Therefore another vector such as ammonia can serve as a chemical to transport and distribute green hydrogen whilst its use in gas turbines can limit combustion reactivity compared to hydrogen for better operability. However pure ammonia on its own shows slow complex reaction kinetics which requires its doping by more reactive molecules thus ensuring greater flame stability. It is expected that in forthcoming years ammonia will replace natural gas (with ~ 90% methane in volume) in power and heat production units thus making the co-firing of ammonia/methane a clear path towards replacement of CH4 as fossil fuel. Hydrogen can be obtained from the precracking of ammonia thus denoting a clear path towards decarbonisation by the use of ammonia/hydrogen blends. Therefore ammonia/methane/hydrogen might be co-fired at some stage in current combustion units hence requiring a more intrinsic analysis of the stability emissions and flame features that these ternary blends produce. In return this will ensure that transition from natural gas to renewable energy generated e-fuels such as so-called “green” hydrogen and ammonia is accomplished with minor detrimentals towards equipment and processes. For this reason this work presents the analysis of combustion properties of ammonia/methane/hydrogen blends at different concentrations. A generic tangential swirl burner was employed at constant power and various equivalence ratios. Emissions OH*/NH*/NH2*/CH* chemiluminescence operability maps and spectral signatures were obtained and are discussed. The extinction behaviour has also been investigated for strained laminar premixed flames. Overall the change from fossils to e-fuels is led by the shift in reactivity of radicals such as OH CH CN and NH2 with an increase of emissions under low and high ammonia content. Simultaneously hydrogen addition improves operability when injected up to 30% (vol) an amount at which the hydrogen starts governing the reactivity of the blends. Extinction strain rates confirm phenomena found in the experiments with high ammonia blends showing large discrepancies between values at different hydrogen contents. Finally a 20/55/25% (vol) methane/ammonia/hydrogen blend seems to be the most promising at high equivalence ratios (1.2) with no apparent flashback low emissions and moderate formation of NH2/OH radicals for good operability.
Forecasting the Hydrogen Demand in China: A System Dynamics Approach
Jan 2022
Publication
Many countries including China have implemented supporting policies to promote the commercialized application of green hydrogen and hydrogen fuel cells. In this study a system dynamics (SD) model is proposed to study the evolution of hydrogen demand in China from the petroleum refining industry the synthetic ammonia industry and the vehicle market. In the model the impact from the macro-environment hydrogen fuel supply and construction of hydrogen facilities is considered to combine in incentives for supporting policies. To further formulate the competitive relationship in the vehicle market the Lotka–Volterra (LV) approach is adopted. The model is verified using published data from 2003 to 2017. The model is also used to forecast China’s hydrogen demand up to the year of 2030 under three different scenarios. Finally some forward-looking guidance is provided to policy makers according to the forecasting results.
Optimal Operation of a Microgrid with Hydrogen Storage Based on Deep Reinforcement Learning
Jan 2022
Publication
Microgrid with hydrogen storage is an effective way to integrate renewable energy and reduce carbon emissions. This paper proposes an optimal operation method for a microgrid with hydrogen storage. The electrolyzer efficiency characteristic model is established based on the linear interpolation method. The optimal operation model of microgrid is incorporated with the electrolyzer efficiency characteristic model. The sequential decision-making problem of the optimal operation of microgrid is solved by a deep deterministic policy gradient algorithm. Simulation results show that the proposed method can reduce about 5% of the operation cost of the microgrid compared with traditional algorithms and has a certain generalization capability.
Recent Progress in the Steam Reforming of Bio-Oil for Hydrogen Production: A Review of Operating Parameters, Catalytic Systems and Technological Innovations
Dec 2021
Publication
The present review focuses on the production of renewable hydrogen through the catalytic steam reforming of bio-oil the liquid product of the fast pyrolysis of biomass. Although in theory the process is capable of producing high yields of hydrogen in practice certain technological issues require radical improvements before its commercialization. Herein we illustrate the fundamental knowledge behind the technology of the steam reforming of bio-oil and critically discuss the major factors influencing the reforming process such as the feedstock composition the reactor design the reaction temperature and pressure the steam to carbon ratio and the hour space velocity. We also emphasize the latest research for the best suited reforming catalysts among the specific groups of noble metal transition metal bimetallic and perovskite type catalysts. The effect of the catalyst preparation method and the technological obstacle of catalytic deactivation due to coke deposition metal sintering metal oxidation and sulfur poisoning are addressed. Finally various novel modified steam reforming techniques which are under development are discussed such as the in-line two-stage pyrolysis and steam reforming the sorption enhanced steam reforming (SESR) and the chemical looping steam reforming (CLSR). Moreover we argue that while the majority of research studies examine hydrogen generation using different model compounds much work must be done to optimally treat the raw or aqueous bio-oil mixtures for efficient practical use. Moreover further research is also required on the reaction mechanisms and kinetics of the process as these have not yet been fully understood.
A Microstructure Informed and Mixed-mode Cohesive Zone Approach to Simulating Hydrogen Embrittlement
Mar 2022
Publication
Hydrogen induced failure under uniaxial tension is simulated in a duplex stainless steel considering microstructural feature of the material. There are three key ingredients in the modelling approach: image processing and finite element representation of the experimentally observed microstructure stress driven hydrogen diffusion and diffusion coupled cohesive zone modelling of fracture considering mixed failure mode. The microstructure used as basis for the modelling work is obtained from specimens cut in the transverse and longitudinal directions. It is found that the microstructure significantly influences hydrogen diffusion and fracture. The austenite phase is polygonal and randomly distributed in the transverse direction where a larger effective hydrogen diffusion coefficient and a lower hydrogen fracture resistance is found compared to the specimen in the longitudinal direction where the austenite phase is slender and laminated. This indicates that the proper design and control of the austenite phase help improve hydrogen resistance of duplex stainless steel. The strength of the interface in the shear direction is found to dominate the fracture mode and initiation site which reveals the importance of considering mixed failure mode and calibrating the hydrogen induced strength reduction in shear.
Hybrid Water Electrolysis: A New Sustainable Avenue for Energy-Saving Hydrogen Production
Oct 2021
Publication
Developing renewable energy-driven water splitting for sustainable hydrogen production plays a key role in achieving the carbon neutrality goal. Nevertheless the efficiency of traditional pure water electrolysis is severely hampered by the anodic oxygen evolution reaction (OER) due to its sluggish kinetics. In this context replacing OER with thermodynamically more favorable oxidation reactions to produce hydrogen via hybrid water electrolysis becomes an energy-saving hydrogen production scheme. Here the recent advances in hybrid water electrolysis are critically reviewed. First the fundamentals of electrochemical oxidation of typical organic molecules such as urea hydrazine and biomass are presented. Then the recent achievements in electrocatalysts for hybrid water electrolysis are introduced with an emphasis on outlining catalyst design strategies and the correlation between catalyst structure and performance. Finally future perspectives in this field for a sustainable hydrogen economy are proposed.
Application of DFT Simulation to the Investigation of Hydrogen Embrittlement Mechanism and Design of High Strength Low Alloy Steel
Dec 2022
Publication
In this work first-principles methods were performed to simulate interactions between hydrogen and common alloying elements of high strength low alloy (HSLA) steel. The world has been convinced that hydrogen could be one of the future clean energy sources. HSLA steel with a balance of strength toughness and hydrogen embrittlement susceptibility is expected for application in large-scale hydrogen storage and transportation. To evaluate the property deterioration under a hydrogen atmosphere hydrogen embrittlement (HE) of HSLA steel attracts attention. However due to the small size of hydrogen atoms the mechanism of HE is challenging to observe directly by current experimental methods. To understand the HE mechanism at an atomic level DFT methods were applied to simulate the effects of alloying elements doping in bcc-Fe bulk structure and grain boundary structure. Furthermore the potential application of DFT to provide theoretical advice for HSLA steel design is discussed.
New Insights into the Electrochemical Behaviour of Porous Carbon Electrodes for Supercapacitors
Aug 2018
Publication
Activated carbons with different surface chemistry and porous textures were used to study the mechanism of electrochemical hydrogen and oxygen evolution in supercapacitor devices. Cellulose precursor materials were activated with different potassium hydroxide (KOH) ratios and the electrochemical behaviour was studied in 6 M KOH electrolyte. In situ Raman spectra were collected to obtain the structural changes of the activated carbons under severe electrochemical oxidation and reduction conditions and the obtained data were correlated to the cyclic voltammograms obtained at high anodic and cathodic potentials. Carbon-hydrogen bonds were detected for the materials activated at high KOH ratios which form reversibly under cathodic conditions. The influence of the specific surface area narrow microporosity and functional groups in the carbon electrodes on their chemical stability and hydrogen capture mechanism in supercapacitor applications has been revealed.
To Adopt CCU Technology or Not? An Evolutionary Game between Local Governments and Coal-Fired Power Plants
Apr 2022
Publication
Carbon dioxide capture and utilization (CCU) technology is a significant means by which China can achieve its ambitious carbon neutrality goal. It is necessary to explore the behavioral strategies of relevant companies in adopting CCU technology. In this paper an evolutionary game model is established in order to analyze the interaction process and evolution direction of local governments and coal-fired power plants. We develop a replicator dynamic system and analyze the stability of the system under different conditions. Based on numerical simulation we analyze the impact of key parameters on the strategies of stakeholders. The simulation results show that the unit prices of hydrogen and carbon dioxide derivatives have the most significant impact: when the unit price of hydrogen decreases to 15.9 RMB/kg or the unit price of carbon dioxide derivatives increases to 3.4 RMB/kg the evolutionary stabilization strategy of the system changes and power plants shift to adopt CCU technology. The results of this paper suggest that local governments should provide relevant support policies and incentives for CCU technology deployment as well as focusing on the synergistic development of CCU technology and renewable energy hydrogen production technology
Review of the Current Status of Ammonia-Blended Hydrogen Fuel Engine Development
Jan 2022
Publication
As fossil fuels continue to be extracted and used issues such as environmental pollution and energy scarcity are surfacing. For the transportation industry the best way to achieve the goal of “carbon neutrality” is to research efficient power systems and develop new alternative fuels. As the world’s largest product of chemicals ammonia is a new renewable fuel with good combustion energy. It can be used as an alternative fuel to reduce carbon emissions because of its proven production process low production and transportation costs safe storage the absence of carbon-containing compounds in its emissions and its future recyclability. This paper firstly introduces the characteristics of ammonia fuel engine and its problems; then it summarizes the effects of various ammonia-blended fuels on the combustion and emission characteristics of the engine from the combustion problem of ammonia-blended engine; then the fuel storage of ammonia-blended hydrogen is discussed the feasibility of hydrogen production instead of hydrogen storage is introduced.
Hydrolysis-Based Hydrogen Generation Investigation of Aluminium System Adding Low-Melting Metals
Mar 2021
Publication
In this age of human civilization there is a need for more efficient cleaner and renewable energy as opposed to that provided by nonrenewable sources such as coal and oil. In this sense hydrogen energy has been proven to be a better choice. In this paper a portable graphite crucible metal smelting furnace was used to prepare ten multi-element aluminum alloy ingots with different components. The microstructure and phase composition of the ingots and reaction products were analyzed by X-ray diffraction (XRD) scanning electron microscopy (SEM) and differential scanning calorimetry (DSC). The reaction was carried out in a constant temperature water bath furnace at 60°C and the hydrogen production performance of the multi-element aluminum alloys in different proportions was compared by the drainage gas collection method. The experimental results show that the as-cast microstructure of Al–Ga–In–Sn aluminum alloy is composed of a solid solution of Al and part of Ga and a second phase of In3Sn. After the hydrolysis reaction the products were dried at 150°C and then analyzed by XRD. The products were mainly composed of AlOOH and In3Sn. Alloys with different compositions react at the same hydrolysis temperature and the hydrogen production performance is related to the ratio of low-melting-point metal elements. By comparing two different ratios of Ga–In–Sn (GIS) the hydrogen production capacity and production rate when the ratio is 6:3:1 are generally higher than those when the ratio is 7:2:1. The second phase content affects the hydrogen production performance.
The Hydrogen Storage Properties of MgH2–Fe7S8 Composites
Nov 2020
Publication
Nanostructured Fe7S8 was successfully synthesized and its catalytic effect on hydrogen absorption/desorption performance of MgH22 is systemically discussed. The MgH2 + 16.7 wt% Fe7S8 composite prepared by ball-milling method offers a striking catalytic activity for hydrogenation kinetics and also reduces the initial decomposition temperature for MgH22. The composite of MgH2–Fe7S8 can absorb 4.000 wt% of hydrogen within 1800 s at 473 K which is about twice that of pristine MgH2 (1.847 wt%) under the same conditions. The onset hydrogen release temperature of Fe7S8-modified MgH2 is 420 K which is 290 K lower than that of additive-free MgH2 (710 K). Meanwhile the doped sample could release 4.403 wt% of hydrogen within 1800 s at 623 K as compared to 2.479 wt% of hydrogen by MgH2. The activation energy for MgH2–Fe7S8 is about 130.0 kJ mol−1 approximately 36 kJ mol−1 lower than that of MgH2. The hydriding process of MgH2 + 16.7 wt% Fe7S8 follows the nucleation and growth mechanism. The prominent hydrogen storage performances are related to the reactions between MgH2 and Fe7S8. The newly formed MgS and Fe in the ball-milling process present a co-catalytic effect on the hydrogen storage performance of MgH22.
Hydrogen Generation from Methanol at Near-room Temperature
Sep 2017
Publication
As a promising hydrogen storage medium methanol has many advantages such as a high hydrogen content (12.5 wt%) and low-cost. However conventional methanol–water reforming methods usually require a high temperature (>200 °C). In this research we successfully designed an effective strategy to fully convert methanol to hydrogen for at least 1900 min (∼32 h) at near-room temperature. The strategy involves two main procedures which are CH3OH →HCOOH → H2 and CH3OH → NADH → H2. HCOOH and the reduced form of nicotinamide adenine dinucleotide (NADH) are simultaneously produced through the dehydrogenation of methanol by the cooperation of alcohol dehydrogenase (ADH) and aldehyde dehydrogenase (ALDH). Subsequently HCOOH is converted to H2 by a new iridium polymer complex catalyst and an enzyme mimic is used to convert NADH to H2 and nicotinamide adenine dinucleotide (NAD+). NAD+ can then be reconverted to NADH by repeating the dehydrogenation of methanol. This strategy and the catalysts invented in this research can also be applied to hydrogen production from other small organic molecules (e.g. ethanol) or biomass (e.g. glucose) and thus will have a high impact on hydrogen storage and applications.
Hydrogen Storage Behavior of Nanocrystalline and Amorphous Mg–Ni–Cu–La Alloys
Sep 2020
Publication
Alloying and structural modification are two effective ways to enhance the hydrogen storage kinetics and decrease the thermal stability of Mg and Mg-based alloys. In order to enhance the characteristics of Mg2Ni-type alloys Cu and La were added to an Mg2Ni-type alloy and the sample alloys (Mg24Ni10Cu2)100−xLax (x = 0 5 10 15 20) were prepared by melt spinning. The influences of La content and spinning rate on the gaseous and electrochemical hydrogen storage properties of the sample alloys were explored in detail. The structural identification carried out by XRD and TEM indicates that the main phase of the alloys is Mg2Ni and the addition of La results in the formation of the secondary phases LaMg3 and La2Mg17. The as-spun alloys have amorphous and nanocrystalline structures and the addition of La promotes glass formation. The electrochemical properties examined by an automatic galvanostatic system show that the samples possess a good activation capability and achieve their maximal discharge capacities within three cycles. The discharge potential characteristics were vastly ameliorated by melt spinning and La addition. The discharge capacities of the samples achieve their maximal values as the La content changes and the discharge capacities always increase with increasing spinning rate. The addition of La leads to a decline in hydrogen absorption capacity but it can effectively enhance the rate of hydrogen absorption. The addition of La and melt spinning significantly increase the hydrogen desorption rate due to the reduced activation energy.
Recent Advances on the Thermal Destabilization of Mg-based Hydrogen Storage Materials
Jan 2021
Publication
Magnesium hydride and its compounds have a high hydrogen storage capacity and are inexpensive and thus have been considered as one of the most promising hydrogen storage materials for on-board applications. Nevertheless Mg/MgH2 systems suffer from great drawbacks in terms of kinetics and thermodynamics for hydrogen uptake/release. Over the past decades although significant progress has been achieved with respect to hydrogen sorption kinetics in Mg/MgH2 systems their high thermal stability remains the main drawback which hinders their practical applications. Accordingly herein we present a brief summary of the synthetic routes and a comprehensive overview of the advantages and disadvantages of the promising strategies to effectively tune the thermodynamics of Mg-based materials such as alloying nanostructuring metastable phase formation changing reaction pathway and nano Mg-based composites. Among them nanostructuring and metastable phase formation which have the superiority of changing the thermodynamics without affecting the hydrogen capacity have attracted increasing interest in this field. To further optimize the hydrogen storage performance we specially emphasize novel nanostructured materials which have the advantage of combining alloy engineering nanostructuring and the synergistic effect to change the thermodynamics of Mg/MgH2 to some extent. Furthermore the remaining challenges and the directions of further research on MgH2 including the fundamental mechanism of the Mg–H bond instability advanced synthetic routes stabilizing nanostructures and predicting novel composite materials are proposed.
The Impact of Disruptive Powertrain Technologies on Energy Consumption and Carbon Dioxide Emissions from Heavy-duty Vehicles
Jan 2020
Publication
Minimising tailpipe emissions and the decarbonisation of transport in a cost effective way remains a major objective for policymakers and vehicle manufacturers. Current trends are rapidly evolving but appear to be moving towards solutions in which vehicles which are increasingly electrified. As a result we will see a greater linkage between the wider energy system and the transportation sector resulting in a more complex and mutual dependency. At the same time major investments into technological innovation across both sectors are yielding rapid advancements into on-board energy storage and more compact/lightweight on-board electricity generators. In the absence of sufficient technical data on such technology holistic evaluations of the future transportation sector and its energy sources have not considered the impact of a new generation of innovation in propulsion technologies. In this paper the potential impact of a number of novel powertrain technologies are evaluated and presented. The analysis considers heavy duty vehicles with conventional reciprocating engines powered by diesel and hydrogen hybrid and battery electric vehicles and vehicles powered by hydrogen fuel cells and freepiston engine generators (FPEGs). The benefits are compared for each technology to meet the expectations of representative medium and heavy-duty vehicle drivers. Analysis is presented in terms of vehicle type vehicle duty cycle fuel economy greenhouse gas (GHG) emissions impact on the vehicle etc.. The work shows that the underpinning energy vector and its primary energy source are the most significant factor for reducing primary energy consumption and net CO2 emissions. Indeed while an HGV with a BEV powertrain offers no direct tailpipe emissions it produces significantly worse lifecycle CO2 emissions than a conventional diesel powertrain. Even with a de-carbonised electricity system (100 g CO2/kWh) CO2 emissions are similar to a conventional Diesel fuelled HGV. For the HGV sector range is key to operator acceptability of new powertrain technologies. This analysis has shown that cumulative benefits of improved electrical powertrains on-board storage efficiency improvements and vehicle design in 2025 and 2035 mean that hydrogen and electric fuelled vehicles can be competitive on gravimetric and volumetric density. Overall the work demonstrates that presently there is no common powertrain solution appropriate for all vehicle types but how subtle improvements at a vehicle component level can have significant impact on the design choices for the wider energy system.
Estimation of Final Hydrogen Temperature From Refueling Parameters
Oct 2015
Publication
Compressed hydrogen storage is currently widely used in fuel cell vehicles due to its simplicity in tank structure and refuelling process. For safety reason the final gas temperature in the hydrogen tank during vehicle refuelling must be maintained under a certain limit e.g. 85 °C. Many experiments have been performed to find the relations between the final gas temperature in the hydrogen tank and refueling conditions. The analytical solution of the hydrogen temperature in the tank can be obtained from the simplified thermodynamic model of a compressed hydrogen storage tank and it serves as function formula to fit experimental temperatures. From the analytical solution the final hydrogen temperature can be expressed as a weighted average form of initial temperature inflow temperature and ambient temperature inspired by the rule of mixtures. The weighted factors are related to other refuelling parameters such as initial mass initial pressure refuelling time refuelling mass rate average pressure ramp rate (APRR) final mass final pressure etc. The function formula coming from the analytical solution of the thermodynamic model is more meaningful physically and more efficient mathematically in fitting experimental temperatures. The simple uniform formula inspired by the concept of the rule of mixture and its weighted factors obtained from the analytical solution of lumped parameter thermodynamics model is representatively used to fit the experimental and simulated results in publication. Estimation of final hydrogen temperature from refuelling parameters based on the rule of mixtures is simple and practical for controlling the maximum temperature and for ensuring hydrogen safety during fast filling process.
Amorphous Iron-nickel Phosphide Nanocone Arrays as Efficient Bifunctional Electrodes for Overall Water Splitting
May 2020
Publication
The synthesis of low-cost and highly active electrodes for both oxygen evolution reaction (OER) and hydrogen evolution reaction (HER) is very important for water splitting. In this work the novel amorphous iron-nickel phosphide (FeP-Ni) nanocone arrays as efficient bifunctional electrodes for overall water splitting have been in-situ assembled on conductive three-dimensional (3D) Ni foam via a facile and mild liquid deposition process. It is found that the FeP-Ni electrode demonstrates highly efficient electrocatalytic performance toward overall water splitting. In 1 M KOH electrolyte the optimal FeP-Ni electrode drives a current density of 10 mA/cm2 at an overpotential of 218 mV for the OER and 120 mV for the HER and can attain such current density for 25 h without performance regression. Moreover a two-electrode electrolyzer comprising the FeP-Ni electrodes can afford 10 mA/cm2 electrolysis current at a low cell voltage of 1.62 V and maintain long-term stability as well as superior to that of the coupled RuO2/NF‖Pt/C/NF cell. Detailed characterizations confirm that the excellent electrocatalytic performances for water splitting are attributed to the unique 3D morphology of nanocone arrays which could expose more surface active sites facilitate electrolyte diffusion benefit charge transfer and also favourable bubble detachment behaviour. Our work presents a facile and cost-effective pathway to design and develop active self-supported electrodes with novel 3D morphology for water electrolysis.
A Host-guest Approach to Fabricate Metallic Cobalt Nanoparticles Embedded in Silk-derived N-doped Carbon Fibers for Efficient Hydrogen Evolution
Feb 2017
Publication
Hydrogen evolution reaction (HER) plays a key role in generating clean and renewable energy. As the most effective HER electrocatalysts Pt group catalysts suffer from severe problems such as high price and scarcity. It is highly desirable to design and synthesize sustainable HER electrocatalysts to replace the Pt group catalysts. Due to their low cost high abundance and high activities cobalt-incorporated N-doped nanocarbon hybrids are promising candidate electrocatalysts for HER. In this report we demonstrated a robust and eco-friendly host-guest approach to fabricate metallic cobalt nanoparticles embedded in N-doped carbon fibers derived from natural silk fibers. Benefiting from the one-dimensional nanostructure the well-dispersed metallic cobalt nanoparticles and the N-doped thin graphitized carbon layer coating the best Co-based electrocatalyst manifests low overpotential (61 mV@10 mA/cm2) HER activity that is comparable with commercial 20% Pt/C and good stability in acid. Our findings provide a novel and unique route to explore high-performance noble-metal-free HER electrocatalysts.
Co-CoOx Supported onto TiO2 Coated with Carbon as a Catalyst for Efficient and Stable Hydrogen Generation from Ammonia Borane
Apr 2020
Publication
Ammonia borane (AB) can be catalytically hydrolyzed to provide hydrogen at room temperature due to its high potentaial for hydrogen storage. Non-precious metal heterogeneous catalysts have broad application in the field of energy catalysis. In this article catalysts precursor is obtained from Co-Ti-resorcinol-formaldehyde resin by sol–gel method. Co/TiO2@N-C (CTC) catalyst is prepared by calcining the precursor under high temperature conditions in nitrogen atmosphere. Co-CoOx/TiO2@N-C (COTC) is generated by the controllable oxidation reaction of CTC. The catalyst can effectively promote the release of hydrogen during the hydrolytic dehydrogenation of AB. High hydrogen generation at a specific rate of 5905 mL min−1 gCo−1 is achieved at room temperature. The catalyst retains its 85% initial catalytic activity even for its fifth time use in AB hydrolysis. The synergistic effect among Co Co3O4 and TiO2 promotes the rate limiting step with dissociation and activation of water molecules by reducing its activation energy. The applied method in this study promotes the development of non-precious metals in catalysis for utilization in clean energy sources.
Hydrogen Production as a Clean Energy Carrier through Heterojunction Semiconductors for Environmental Remediation
Apr 2022
Publication
Today as a result of the advancement of technology and increasing environmental problems the need for clean energy has considerably increased. In this regard hydrogen which is a clean and sustainable energy carrier with high energy density is among the well-regarded and effective means to deliver and store energy and can also be used for environmental remediation purposes. Renewable hydrogen energy carriers can successfully substitute fossil fuels and decrease carbon dioxide (CO2 ) emissions and reduce the rate of global warming. Hydrogen generation from sustainable solar energy and water sources is an environmentally friendly resolution for growing global energy demands. Among various solar hydrogen production routes semiconductor-based photocatalysis seems a promising scheme that is mainly performed using two kinds of homogeneous and heterogeneous methods of which the latter is more advantageous. During semiconductor-based heterogeneous photocatalysis a solid material is stimulated by exposure to light and generates an electron–hole pair that subsequently takes part in redox reactions leading to hydrogen production. This review paper tries to thoroughly introduce and discuss various semiconductor-based photocatalysis processes for environmental remediation with a specific focus on heterojunction semiconductors with the hope that it will pave the way for new designs with higher performance to protect the environment.
Optimization of Geothermal- and Solar-driven Clean Electricity and Hydrogen Production Multi-generation Systems to Address the Energy Nexus
Jan 2022
Publication
Given the limited sources of fossil fuels mankind should find new ways to meet its energy demands. In this regard geothermal and solar energy are acknowledged as reliable safe promising and clean means for this purpose. In this research study a comparative analysis is applied on geothermal and solar-driven multi-generation systems for clean electricity and hydrogen production through energy and exergy assessments. The system consists of an organic Rankine cycle a proton electrolyte membrane electrolyzer and a thermoelectric generator subsystem. The Engineering Equation Solver software has been utilized in order to model the system and obtain the output contours sensitivity analysis and exergy destruction. The results were calculated considering the ambient temperature of Bandar Abbas city as a case study considering the geothermal system due to better performance in comparison to the solar system. According to the sensitivity analysis the turbine efficiency evaporator inlet temperature thermoelectric generator suitability criterion pump efficiency and evaporator inlet mass flow rate are the most influential parameters. Also the exergy analysis showed that the utmost system's exergy destruction is pertinent to the evaporator and the least is related to the pump. In addition the system produces 352816 kWh and 174.913 kg of electrical power and hydrogen during one year.
Balancing Wind-power Fluctuation Via Onsite Storage Under Uncertainty Power-to-hydrogen-to-power Versus Lithium Battery
Oct 2019
Publication
Imbalance costs caused by forecasting errors are considerable for grid-connected wind farms. In order to reduce such costs two onsite storage technologies i.e. power-to-hydrogen-to-power and lithium battery are investigated considering 14 uncertain technological and economic parameters. Probability density distributions of wind forecasting errors and power level are first considered to quantify the imbalance and excess wind power. Then robust optimal sizing of the onsite storage is performed under uncertainty to maximize wind-farm profit (the net present value). Global sensitivity analysis is further carried out for parameters prioritization to highlight the key influential parameters. The results show that the profit of power-to-hydrogen-to-power case is sensitive to the hydrogen price wind forecasting accuracy and hydrogen storage price. When hydrogen price ranges in (2 6) €/kg installing only electrolyzer can earn profits over 100 k€/MWWP in 9% scenarios with capacity below 250 kW/MWWP under high hydrogen price (over 4 €/kg); while installing only fuel cell can achieve such high profits only in 1.3% scenarios with capacity below 180 kW/MWWP. Installing both electrolyzer and fuel cell (only suggested in 22% scenarios) results in profits below 160 k€/MWWP and particularly 20% scenarios allow for a profit below 50 k€/MWWP due to the contradictory effects of wind forecasting error hydrogen and electricity price. For lithium battery investment cost is the single highly influential factor which should be reduced to 760 €/kWh. The battery capacity is limited to 88 kW h/MWWP. For profits over 100 k€/MWWP (in 3% scenarios) the battery should be with an investment cost below 510 €/kWh and a depth of discharge over 63%. The power-to-hydrogen-to-power case is more advantageous in terms of profitability reliability and utilization factor (full-load operating hours) while lithium battery is more helpful to reduce the lost wind and has less environmental impact considering current hydrogen market.
Location-dependent Effect of Nickel on Hydrogen Dissociation and Diffusion on Mg (0001) Surface: Insights into Hydrogen Storage Material Design
Apr 2021
Publication
Density functional theory (DFT) calculations have been performed to investigate the hydrogen dissociation and diffusion on Mg (0001) surface with Ni incorporating at various locations. The results show that Ni atom is preferentially located inside Mg matrix rather than in/over the topmost surface. Further calculations reveal that Ni atom locating in/over the topmost Mg (0001) surface exhibits excellent catalytic effect on hydrogen dissociation with an energy barrier of less than 0.05 eV. In these cases the rate-limiting step has been converted from hydrogen dissociation to surface diffusion. In contrast Ni doping inside Mg bulk not only does little help to hydrogen dissociation but also exhibits detrimental effect on hydrogen diffusion. Therefore it is crucial to stabilize the Ni atom on the surface or in the topmost layer of Mg (0001) surface to maintain its catalytic effect. For all the case of Ni-incorporated Mg (0001) surfaces the hydrogen atom prefers firstly immigrate along the surface and then penetrate into the bulk. It is expected that the theoretical findings in the present study could offer fundamental guidance to future designing on efficient Mg-based hydrogen storage materials.
Enhanced Hydrogen Generation from Hydrolysis of MgLi Doped with Expanded Graphite
Apr 2021
Publication
Hydrolysis of Mg-based materials is considered as a potential means of safe and convenient real-time control of H2 release enabling efficient loading discharge and utilization of hydrogen in portable electronic devices. At present work the hydrogen generation properties of MgLi-graphite composites were evaluated for the first time. The MgLi-graphite composites with different doping amounts of expanded graphite (abbreviated as EG hereinafter) were synthesized through ball milling and the hydrogen behaviors of the composites were investigated in chloride solutions. Among the above doping systems the 10 wt% EG-doped MgLi exhibited the best hydrogen performance in MgCl2 solutions. In particular the 22 h-milled MgLi-10 wt% EG composites possessed both desirable hydrogen conversion and rapid reaction kinetics delivering a hydrogen yield of 966 mL H2 g−1 within merely 2 min and a maximum hydrogen generation rate of 1147 mL H2 min−1 g−1 as opposed to the sluggish kinetics in the EG-free composites. Moreover the EG-doped MgLi showed superior air-stable ability even under a 75 RH% ambient atmosphere. For example the 22 h-milled MgLi-10 wt% EG composites held a fuel conversion of 89% after air exposure for 72 h rendering it an advantage for Mg-based materials to safely store and transfer in practical applications. The similar favorable hydrogen performance of MgLi-EG composites in (simulate) seawater may shed light on future development of hydrogen generation technologies.
Hollow CdS-Based Photocatalysts
Oct 2020
Publication
In recent years photocatalytic technology driven by solar energy has been extensively investigated to ease energy crisis and environmental pollution. Nevertheless efficiency and stability of photocatalysts are still unsatisfactory. To address these issues design of advanced photocatalysts is important. Cadmium sulphide (CdS) nanomaterials are one of the promising photocatalysts. Among them hollow-structured CdS featured with enhanced light absorption ability large surface area abundant active sites for redox reactions and reduced diffusion distance of photogenerated carriers reveals a broad application prospect. Herein main synthetic strategies and formation mechanism of hollow CdS photocatalysts are summarized. Besides we comprehensively discuss the current development of hollow-structured CdS nanomaterials in photocatalytic applications including H2 production CO2 reduction and pollutant degradation. Finally brief conclusions and perspectives on the challenges and future directions for hollow CdS photocatalysts are proposed.
Synthetic Natural Gas Production from CO2 and Renewable H2: Towards Large-scale Production of Ni–Fe Alloy Catalysts for Commercialization
Apr 2020
Publication
Synthetic natural gas (SNG) is one of the promising energy carriers for the excessive electricity generated from variable renewable energy sources. SNG production from renewable H2 and CO2 via catalytic CO2 methanation has gained much attention since CO2 emissions could be simultaneously reduced. In this study Ni–Fe/(MgAl)Ox alloy catalysts for CO2 methanation were prepared via hydrotalcite precursors using a rapid coprecipitation method. The effect of total metal concentration on the physicochemical properties and catalytic behavior was investigated. Upon calcination the catalysts showed high specific surface area of above 230 m2 g−1. Small particle sizes of about 5 nm were obtained for all catalysts even though the produced catalyst amount was increased by 10 times. The catalysts exhibited excellent space-time yield under very high gas space velocity (34000 h−1) irrespective of the metal concentration. The CO2 conversions reached 73–79% at 300 °C and CH4 selectivities were at 93–95%. Therefore we demonstrated the potential of large-scale production of earth-abundant Ni–Fe based catalysts for CO2 methanation and the Power-to-Gas technology.
Self-Supported High-Entropy Alloy Electrocatalyst for Highly Efficient H2 Evolution in Acid Condition
Jul 2020
Publication
Developing non-precious catalysts as Pt substitutes for electrochemical hydrogen evolution reaction (HER) with superior stability in acidic electrolyte is of critical importance for large-scale low-cost hydrogen production from water. Herein we report a CoCrFeNiAl high-entropy alloy (HEA) electrocatalyst with self-supported structure synthesized by mechanical alloying and spark plasma sintering (SPS) consolidation. The HEA after HF treatment and in situ electrochemical activation for 4000 cycles of cyclic voltammetry (HF-HEAa2) presents favourable activity with overpotential of 73 mV to reach a current density of 10 mA cm−2 and a Tafel slope of 39.7 mV dec−1. The alloy effect of Al/Cr with Co/Fe/Ni at atomic level high-temperature crystallization as well as consolidation by SPS endow CoCrFeNiAl HEA with high stability in 0.5 M H2SO4 solution. The superior performance of HF-HEAa2 is related with the presence of metal hydroxides/oxides groups on HEA.
In Situ Irradiated X-Ray Photoelectron Spectroscopy on Ag-WS2 Heterostructure For Hydrogen Production Enhancement
Oct 2020
Publication
The hot electron transition of noble materials to catalysis accelerated by localized surface plasmon resonances (LSPRs) was detected by in situ irradiated X-ray photoelectron spectroscopy (ISI-XPS) in this article. This paper synthesized an Ag Nanowire (AgNW) @ WS2 core-shell structure with an ultra-thin shell of WS2(3 ∼ 7 nm) and characterized its photocatalytic properties. The AgNW@WS2 core-shell structure exhibited different surface-enhanced Raman spectroscopy (SERS) effects by changing shell thickness indicating that the effect of AgNW could be controlled by WS2 shell. Furthermore the hydrogen production of AgNW@WS2 could reach to 356% of that of pure WS2. The hot electrons arising from the LSPRs effect broke through the Schottky barrier between WS2 and AgNW and transferred to the WS2 shell whose photocatalytic effect was thus enhanced. In addition when the LSPRs effect was intensified by reducing the shell thickness the hot electron transition of noble materials to catalysis was accelerated.
Molecular Dynamics Studies of Hydrogen Effect on Intergranular Fracture in α-Iron
Nov 2020
Publication
In the current study the effect of hydrogen atoms on the intergranular failure of α-iron is examined by a molecular dynamics (MD) simulation. The effect of hydrogen embrittlement on the grain boundary (GB) is investigated by diffusing hydrogen atoms into the grain boundaries using a bicrystal body-centered cubic (BCC) model and then deforming the model with a uniaxial tension. The Debye Waller factors are applied to illustrate the volume change of GBs and the simulation results suggest that the trapped hydrogen atoms in GBs can therefore increase the excess volume of GBs thus enhancing intergranular failure. When a constant displacement loading is applied to the bicrystal model the increased strain energy can barely be released via dislocation emission when H is present. The hydrogen pinning effect occurs in the current dislocation slip system <111>{112}. The hydrogen atoms facilitate cracking via a decrease of the free surface energy and enhance the phase transition via an increase in the local pressure. Hence the failure mechanism is prone to intergranular failure so as to release excessive pressure and energy near GBs. This study provides a mechanistic framework of intergranular failure and a theoretical model is then developed to predict the intergranular cracking rate
Black TiO2 for Solar Hydrogen Conversion
Feb 2017
Publication
Titanium dioxide (TiO2 ) has been widely investigated for photocatalytic H2 evolution and photoelectrochemical (PEC) water splitting since 1972. However its wide bandgap (3.0–3.2 eV) limits the optical absorption of TiO2 for sufficient utilization of solar energy. Blackening TiO2 has been proposed as an effective strategy to enhance its solar absorption and thus the photocatalytic and PEC activities and aroused widespread research interest. In this article we reviewed the recent progress of black TiO2 for photocatalytic H2 evolution and PEC water splitting along with detailed introduction to its unique structural features optical property charge carrier transfer property and related theoretical calculations. As summarized in this review article black TiO2 could be a promising candidate for photoelectrocatalytic hydrogen generation via water splitting and continuous efforts are deserved for improving its solar hydrogen efficiency.
The Path to Carbon Neutrality in China: A Paradigm Shift in Fossil Resource Utilization
Jan 2022
Publication
The Paris Agreement has set the goal of carbon neutrality to cope with global climate change. China has pledged to achieve carbon neutrality by 2060 which will strategically change everything in our society. As the main source of carbon emissions the consumption of fossil energy is the most profoundly affected by carbon neutrality. This work presents an analysis of how China can achieve its goal of carbon neutrality based on its status of fossil energy utilization. The significance of transforming fossils from energy to resource utilization in the future is addressed while the development direction and key technologies are discussed.
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