A study on the hydrogen storage performance of graphene–Pd(T)–graphene structure

The 1–6 H₂ molecule adsorption energy and electronic properties of sandwich graphene–Pd(T)–Graphene (G–Pd(T)–G) structure were studied by the first-principle analysis. The binding energies, adsorption energies, and adsorption distances of Pd atoms-modified single-layer graphene and bilayer graphene with H₂ molecules at B, H, T adsorption sites were calculated. In bilayer graphene, the adsorption properties at T sites were found to be more stable than those at B and H sites. The binding energy of Pd atoms (4.16 eV) on bilayer graphene was higher than the experimental cohesion energy of Pd atoms (3.89 eV), and this phenomenon eliminated the impact of metal clusters on adsorption properties. It was found that three H₂ molecules were stably adsorbed on the G–Pd(T)–G structure with an average adsorption energy of 0.22 eV. Therefore, it can be speculated that G–Pd(T)–G is an excellent hydrogen storage material.     

Study on the hydrogen storage performance of graphene(N)–Sc–graphene(N) structure

The electronic properties of a sandwich graphene(N)–Sc–graphene(N) structure and its average adsorption energies after the adsorption of 1, 3, 5, 7, 10, and 14H₂ molecules were investigated by first principles. The average binding energies and adsorption distances of Sc atoms at different adsorption sites in N-doped bilayer graphene (N–BLG) were calculated. It was found that Sc atoms located at different adsorption sites of BLG generated metal clusters. The binding energy of the Sc atom located at the TT position of N–BLG (5.19 eV) was higher than the experimental cohesion energy (3.90 eV), and eliminated the impact of metal clusters on adsorption properties. It was found that the G(N)–Sc–G(N) system could stably adsorb 10 hydrogen molecules with an average adsorption energy of 0.24 eV. Therefore, it can be speculated that G(N)–Sc–G(N) is an excellent hydrogen storage material.     

Technoeconomics of large-scale clean hydrogen production – A review

Hydrogen is widely used in many industries, yet its role in the clean energy transition goes beyond being an element of these industries. Near-term practical large-scale clean hydrogen production can be made available by involving nuclear, solar, and other renewable energy sources in the process of hydrogen production, and coupling their energy systems to sustainable carbon-free hydrogen technologies. This requires further investigation and assessment of the different alternatives to achieve clean hydrogen using these pathways. This paper assesses the technoeconomics of promising hydrogen technologies that can be coupled to nuclear and solar energy systems for large-scale hydrogen production. It also provides an overview of the design, status and advances of these technologies.     

Evaluation of the introduction of a hydrogen supply chain using a conventional gas pipeline–A case study of the Qinghai–Shanghai hydrogen supply chain

A large-scale hydrogen supply chain is an alternative for the transportation of energy generated from a renewable energy source. Utilizing this technology would drastically improve the generation of clean energy. Therefore, an analysis method to estimate the economic and environmental benefits of the introduction of a hydrogen supply chain using an existing pipeline is developed. The proposed method first estimates the energy and exergy flows in the system to calculate the overall efficiency of these quantities. Afterward, the payback period is estimated based on the overall energy efficiency using the discounted cash flow (DCF) method. The overall efficiency of the system, based on the energy analysis presented, would seem to be the final delivered electrical, fuel and useable heat energy delivered to end use divided by the input solar and wind energy. Furthermore, the environmental effects due to the introduction of the systems are evaluated considering the reduction of global warming and air pollution gases, such as CO₂ and PM2.5. The proposed analysis method was applied considering a natural gas pipeline that connects Qinghai and Shanghai. As a result, conversion ratios of 24.9% for electricity and 17.5% for heat were achieved, with the overall efficiency of the system of 42.4% based on the electricity obtained from photovoltaics. 3.02 Gt of CO₂, 104 kt of SO_x, and 134 kt of NO_x, which represent 3.3%, 0.5%, and 0.6% of the annual discharge in China, respectively, and 8.66 kt of PM2.5 would be reduced every year. Furthermore, a reduction of 953 Mt in coal consumption is expected. The payback period of the proposed system using the DCF method is 4.17 and 2.28 years for the two alternatives evaluated in this work. The cash flow of the DCF is influenced by installation cost and operation cost of equipment.     

A solid oxide fuel cell operating on liquid organic hydrogen carrier-based hydrogen – A kinetic model of the hydrogen release unit and system performance

In this paper, a kinetic model for the catalytic dehydrogenation of perhydro dibenzyltoluene (H18-DBT), a well-established Liquid Organic Hydrogen Carrier (LOHC) compound, is presented. Kinetic parameters for hydrogen release at a Pt on alumina catalyst in a temperature range between 260 °C and 310 °C are presented. A Solid Oxide Fuel Cell (SOFC) system model was coupled to the hydrogen release from H18-DBT in order to validate the full sequence of LOHC-bound hydrogen-to-electric power. A system layout is described and investigated according to its transient operating behavior and its efficiency. We demonstrate that the maximum efficiency of LOHC-bound hydrogen-to-electricity is 45% at full load, avoiding any critical conditions for the system components.     

Life cycle analysis of hydrogen – A well-to-wheels analysis for Portugal

A life cycle analysis of hydrogen is presented involving several processes of H₂ production. The main goal was to adapt the GREET 1.8c model in order to represent the European reality and more specifically the Portuguese energy sector. GEMIS model was used in order to obtain energy consumption and pollutant emissions related to the production of photovoltaic panels and wind towers, since GREET model consider zero emissions in renewable technologies. The integration between these two models generated MACV2H₂ model that was calibrated.     

Modelling of metal hydride hydrogen compressors from thermodynamics of hydrogen – Metal interactions viewpoint: Part I. Assessment of the performance of metal hydride materials

This work presents a model to determine productivity and heat consumption of hydrogen compression utilising metal hydrides (MH) by using Pressure – Composition – Temperature (PCT) diagrams of the MH materials at defined operating conditions – temperatures and hydrogen pressures. The present Part I is focused on the analysis of hydrogen compression performances of several AB₅- and AB₂-type intermetallic alloys which, when operating between temperatures of 20 and 150 °C, provide H₂ compression up to 500 atm, with a cycle productivity about 100 NL H₂/kg MH and compression ratio of up to 10, at H₂ suction pressure below 10–15 atm, or up to 5 at higher suction pressures.We show that calculated cycle productivities of hydrogen compression are related to the operating conditions and significantly vary for the different MH materials, even though showing similar trends in their changes. The cycle productivity of MH material increases with decrease of the cooling temperature, decrease of the discharge pressure, increase of the heating temperature and increase of the suction pressure. When hydrogen pressure approaches plateau pressures for H₂ absorption at cooling or H₂ desorption at heating, the changes of the cycle productivity become very pronounced. Particularly, the compression productivity becomes very sensitive to the P-T variations when the isotherms show presence of “flat” pressure plateaux which are characteristic for the ideal PCT diagrams of the MH. Thus, in the latter case, even minor changes in P-T result in a dramatic variation of the cycle productivity and when aiming at increased efficiency of the process, a strict P-T control is required.     

Modelling of metal hydride hydrogen compressors from thermodynamics of hydrogen – Metal interactions viewpoint: Part II. Assessment of the performance of metal hydride compressors

Performance of the thermally-driven metal hydride hydrogen compressor (MHHC) is defined by (a) its H₂ compression ratio and maximum output H₂ pressure; (b) throughput productivity/average output flow rate; (c) specific thermal energy consumption which determines H₂ compression efficiency. In earlier studies, the focus of the R&D efforts was on the optimisation of the design of the MH containers and heat and mass transfer in the MH storage and compression system aimed at shortening the time of the H₂ compression cycle. This work considers an important but insufficiently studied aspect of the development of the industrial-scale thermally driven MHHC's – selection of the materials and optimisation of the materials performance. Further to the operation in the specified pressure/temperature ranges, materials selection should be based on the estimation of the productivity of the compression cycle, and specific heat consumption required for the H₂ compression, which together determine the process efficiency.The current work presents a model to determine productivity and heat consumption for a single- and multi-stage MHHC's which is based on use of Pressure – Composition – Temperature (PCT) diagrams of the utilized metal hydrides at defined operating conditions – temperatures and hydrogen pressures – and main operational features of the MHHC (number of stages, amounts of the MH materials used, cycle time). In Part I of this work [Lototskyy, Yartys, et al., Int J Hydrogen Energy, DOI: 10.1016/j.ijhydene.2020.10.090], we showed that the calculated cycle productivities significantly vary for the different materials. Analysis of the system performance carried out in this work (Part II) shows that the throughput productivity and efficiency of a multi-stage MHHC also depends on the types and amounts of the used MH materials in the multi-stage compressor layout. This has been analysed for a number of the most practically important AB₅ and Laves type AB₂ hydrogen storage alloys integrated into the MHHC's.A comparison of experimentally measured performances of single-, two- and three-stage industrial-scale MHHC's developed by the authors earlier shows their satisfactory agreement with the modelling results thus demonstrating a high value of the presented method for the proper materials selection during development of the MHHC. As an important future development, the work presents a performance evaluation of a two-stage MHHC for H₂ compression operating in the pressure range from 30 to 500 atm at operating temperatures between 20 and 150 °C.     

Hydrogen quality for fuel cell vehicles – A modeling study of the sensitivity of impurity content in hydrogen to the process variables in the SMR–PSA pathway

As fuel cell vehicles approach wide-scale deployment, the issue of the quality of hydrogen dispensed to the vehicles has become increasingly important. The various factors that must be considered include the effects of different contaminants on fuel cell performance and durability, the production and purification of hydrogen to meet fuel quality guidelines, and the associated costs of providing hydrogen of that quality to the fuel cell vehicles. In this paper, we describe the development of a model to track the formation and removal of several contaminants over the various steps of hydrogen production by steam-methane reforming (SMR) of natural gas, followed by purification by pressure-swing adsorption (PSA). We have used the model to evaluate the effects of setting varying levels of these contaminants in the product hydrogen on the production/purification efficiency, hydrogen recovery, and the cost of the hydrogen. The model can be used to track contaminants such as CO₂, CO, N₂, CH₄, and H₂S in the process. The results indicate that a suggested specification of 0.2 ppm CO would limit the maximum hydrogen recovery from the PSA under typical design and operating conditions. The steam-to-carbon ratio and the process pressure are found to have a significant impact on the process efficiency. Varying the CO specification from 0.1 to 1 ppm is not expected to affect the cost of hydrogen significantly, although the cost of gas analysis to comply with such stringent requirements may add 2–10 cents/kg to the cost of hydrogen.     

Sustainable hydrogen society – Vision,findings and development of a hydrogen economy using the example of Austria

Based on technical, environmental, economic and social facts and recent findings, the feasibility of the transition from our current fossil age to the new green age is analyzed in detail at both global and local level. To avert the threats of health problems, environmental pollution and climate change to our quality and standard of life, a twofold radical paradigm shift is outlined: Green Energy Revolution means the complete change from fossil-based to green primary energy sources such as sun, wind, water, environmental heat, and biomass; Green Hydrogen Society means the complete change from fossil-based final energy to green electricity and green hydrogen in all areas of mobility, industries, households and energy services. Renewable energies offer a green future and are in combination with electrochemical machines such as electrolysers, batteries and fuel cells able to achieve higher efficiencies and zero emissions.     

Comment on the paper “Analysis of magnetohydrodynamics peristaltic transport of hydrogen bubble in water,A. Zeeshan,N. Ijaz,A. Majeed,Int J Hydrogen Energy 43(2018) 979–985”

The present discussion concerns some doubtful results included in the above paper.     

Combustion of hydrogen–oxygen microfoam on the water base

On the basis of experimental study the paper analyzes the process of combustion wave propagation in the hydrogen–oxygen microfoam on the water base. Combustible microfoam consists of gaseous bubbles dispersed in the water solution of surfactant. Bubbles contain hydrogen and oxygen and their diameters are in the range from 60 to 230 μm. Expansion ratio of the combustible foam is in the range from 8 to 22. The paper establishes the influence of surfactant concentration, glycerol concentration, tube diameter and Shchelkin's spiral on the speed of flame propagation in the foam. It is shown that for considered range of regime parameters the characteristic mode of flame propagation in the semi-opened tube is the accelerated mode. The increase in glycerol content leads to the increase in flame speed. However after certain critical concentration of glycerol the foam loses the ability to burn. Total burning rate depends on surfactant concentration non-monotonically with characteristic maximum. Shchelkin's spiral installed at inner surface of the tube as well as the decrease in tube diameter favor flame deceleration.     

Thermochemical hydrogen preparation—Part V. A feasibility study of the sulfur iodine cycle

A sulfur-iodine cycle consists of the following three reactions:

$\text{2H}{}_2\text{O + SO}{}_2\text{+ I}{}_2\text{→ H}{}_2\text{SO}{}_4\text{+ 2HI,}$

$\text{H}{}_2\text{SO}{}_4\text{→ H}{}_2\text{O + SO}{}_2\text{+}\text{1}\text{2O}{}_2\text{,}$

$\text{2 HI → H}{}_2\text{+ I}{}_2\text{.}$

It was found that the first reaction can be performed as a cell reaction without the addition of external energy. The sulfuric acid and the hydriodic acid are produced separately in the anode and cathode compartments, respectively. The second and third reactions can be carried out as catalytic thermal decompositions. A process flow sheet of this cycle and its mass balance was based on experimental results, and the heat balance for this cycle was made. It was found that internal heat exchange for this cycle was very large (about 2600 kcal/mol H₂), due mainly to the low yield of the decomposition reaction of hydrogen iodide. Theoretical and experimental studies were made to improve the yield of this reaction. The following three methods seem to be promising for this purpose: (1) continuous removal of the hydrogen produced in the reaction zone; (2) performance of the reaction at low temperature (185–250°C) and high pressure (100 atml; and (3) substitution of the benzene-cyclohexane cycle (6HI ? C₆H₆ → C₆H₁₂ + 3I₂; C₆H₁₂ → C₆H₆ ? 3H₂) for the hydrogen iodide decomposition step.     

Measurements of the laminar burning velocity of hydrogen–air premixed flames

Experimental and numerical studies on laminar burning velocities of hydrogen–air mixtures were performed at standard pressure and room temperature varying the equivalence ratio from 0.8 to 3.0. The flames were generated using a contoured slot-type nozzle burner (4 mm × 10 mm). Measurements of laminar burning velocity were conducted using particle tracking velocimetry (PTV) combined with Schlieren photography. This technique provides the information of instantaneous local burning velocities in the whole region of the flame front, and laminar burning velocities were determined using the mean value of local burning velocities in the region of non-stretch. Additionally, average laminar burning velocities were determined using the angle method and compared with the data obtained with the PTV method. Numerical calculations were also conducted using detailed reaction mechanisms and transport properties.     

Numerical investigations of the restabilization of hydrogen–air rotating detonation engines

Based on 3D numerical simulations, the restabilization of hydrogen–air rotating detonation engines (RDEs) from one stable state to another after the operating conditions are changed is investigated. After a sudden change is imposed on the injection stagnation pressure, the transition process is clarified and the transition time, needed by the RDE to stabilize at a new state, is calculated. It is found that the sudden change of the stagnation pressure has an immediate influence on the average axial velocity at the head end of the RDE, which increases abruptly and instantly with the sudden rise of the stagnation pressure. After that, the average axial velocity drops and the average pressure increases gradually at the head end until they reach a new stable state. The average pressure has a bounce and the average axial velocity fluctuates at the head end in the transition process of the sudden decrease of the stagnation pressure. The total transition time increases with the variation range of the stagnation pressure. However, the initial adjusting time is independent of the variation range of the stagnation pressure and it is about twice the cycle period of the detonation wave around the chamber, demonstrating the high stability of the RDE.     

Study of the performance of Ti–Zr based hydrogen storage alloys

The P–C–I and charging–discharging properties of three Ti–Zr based alloys have been studied. Ni substitution for Mn and Cr in the alloy was found to increase the plateau pressure of the P–C–I curve. In addition, the partial substitution of Cr by V greatly improved the discharge capacity. However, the six-element alloy, Ti_0.5Zr_0.5V_0.2Mn_0.7Cr_0.5Ni_0.6, degraded rapidly in the gas–solid reaction. Hydrogen contents in the alloy under low pressure were increased during hydrogen absorption–desorption cycling. Annealing at 1050°C for 4 h before the P–C–I experiment helped in releasing the retained hydrogen under low pressure. Only a slightly flattened P–C–I slope was obtained for the annealed alloy. Microstructures of the as-cast and annealed alloys were examined and related to the above results. Alloy powder was poisoned after 2-month storage in air, which resulted in the deterioration of discharge capacity. Surface pretreatment on alloy powders by HCl–HF solution decreased the activation time of charge–discharge reaction.