Search results for: hydrogen embrittlement

Authors: Seok Hong Min, Tae Kwon Ha

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With increasing demands for high performance materials, intensive interest on the Ti has been focused. Especially, low cost production process of Ti has been extremely necessitated from wide parts and various industries. Tetrachloride (TiCl₄) is produced by fluidized bed using high TiO₂ feedstock and used as an intermediate product for the production of metal titanium sponge. Reduction of TiCl₄ is usually conducted by Kroll process using magnesium as a reduction reagent, producing metallic Ti in the shape of sponge. The process is batch type and takes very long time including post processes treating sponge. As an alternative reduction reagent, hydrogen in the state of plasma has long been strongly recommended. Experimental confirmation has not been completely reported yet and more strict analysis is required. In the present study, hydrogen plasma reduction process has been thermodynamically analyzed focusing the effects of temperature, pressure and concentration. All thermodynamic calculations were performed using the FactSage® thermodynamical software.

Keywords: TiCl₄, titanium, hydrogen, plasma, reduction, thermodynamic calculation

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Authors: S. Taghavi Kalajahi, A. Koerdt, T. Lund Skovhus

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Cathodic protection (CP) is an electrochemical method to control and manage corrosion in different industries and environments. CP which is widely used, especially in buried and sub-merged environments, which both environments are susceptible to microbiologically influenced corrosion (MIC). Most of the standards recommend performing CP using -800 mV, however, if MIC threats are high or sulfate reducing bacteria (SRB) is present, the recommendation is to use more negative potentials for adequate protection of the metal. Due to the lack of knowledge and research on the effectiveness of CP on MIC, to the author’s best knowledge, there is no information about what MIC threat is and how much more negative potentials should be used enabling adequate protection and not overprotection (due to hydrogen embrittlement risk). Recently, the development and cheaper price of molecular microbial methods (MMMs) open the door for more effective investigations on the corrosion in the presence of microorganisms, along with other electrochemical methods and surface analysis. In this work, using MMMs, the gene expression of SRB biofilm under different potentials of CP will be investigated. The specific genes, such as pH buffering, metal oxidizing, etc., will be compared at different potentials, enabling to determine the precise potential that protect the metal effectively from SRB. This work is the initial step to be able to standardize the recommended potential under MIC condition, resulting better protection for the infrastructures.

Keywords: cathodic protection, microbiologically influenced corrosion, molecular microbial methods, sulfate reducing bacteria

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Authors: Altoumi Alndalusi

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High-temperature hydrogen attack (HTHA) failure is the common phenomena at elevated temperature in hydrogen environment in oil and gas field. The failure occurred once after four years at the internal surface of Platforming elbow. Both visual and microscopic examinations revealed that the failure was initiated due to blistering forming followed by large cracking at the inner surface. Crack morphology showed that the crack depth was about 50% of material wall thickness and its behavior generally was intergranular. This study concluded that the main reason led to failure due to incorrect material selection comparing to the platforming conditions.

Keywords: decarburization, failure, heat affected zone, morphology, partial pressure, plate form

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Authors: Same Noel Ngando, Yakub Abdulfatai Olatunji

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Renewable energy micro-grids, such as those powered by solar or wind energy, are often intermittent in nature. This means that the amount of energy generated by these systems can vary depending on weather conditions or other factors, which can make it difficult to ensure a steady supply of power. To address this issue, energy storage systems have been developed to increase the reliability of renewable energy micro-grids. Battery systems have been the dominant energy storage technology for renewable energy micro-grids. Batteries can store large amounts of energy in a relatively small and compact package, making them easy to install and maintain in a micro-grid setting. Additionally, batteries can be quickly charged and discharged, allowing them to respond quickly to changes in energy demand. However, the process involved in recycling batteries is quite costly and difficult. An alternative energy storage system that is gaining popularity is hydrogen storage. Hydrogen is a versatile energy carrier that can be produced from renewable energy sources such as solar or wind. It can be stored in large quantities at low cost, making it suitable for long-distance mass storage. Unlike batteries, hydrogen does not degrade over time, so it can be stored for extended periods without the need for frequent maintenance or replacement, allowing it to be used as a backup power source when the micro-grid is not generating enough energy to meet demand. When hydrogen is needed, it can be converted back into electricity through a fuel cell. Energy consumption data is got from a particular residential area in Daegu, South Korea, and the data is processed and analyzed. From the analysis, the total energy demand is calculated, and different hybrid energy system configurations are designed using HOMER Pro (Hybrid Optimization for Multiple Energy Resources) and MATLAB software. A techno-economic and environmental comparison and life cycle assessment (LCA) of the different configurations using battery and hydrogen as storage systems are carried out. The various scenarios included PV-hydrogen-grid system, PV-hydrogen-grid-wind, PV-hydrogen-grid-biomass, PV-hydrogen-wind, PV-hydrogen-biomass, biomass-hydrogen, wind-hydrogen, PV-battery-grid-wind, PV- battery -grid-biomass, PV- battery -wind, PV- battery -biomass, and biomass- battery. From the analysis, the least cost system for the location was the PV-hydrogen-grid system, with a net present cost of about USD 9,529,161. Even though all scenarios were environmentally friendly, taking into account the recycling cost and pollution involved in battery systems, all systems with hydrogen as a storage system produced better results. In conclusion, hydrogen is becoming a very prominent energy storage solution for renewable energy micro-grids. It is easier to store compared with electric power, so it is suitable for long-distance mass storage. Hydrogen storage systems have several advantages over battery systems, including flexibility, long-term stability, and low environmental impact. The cost of hydrogen storage is still relatively high, but it is expected to decrease as more hydrogen production, and storage infrastructure is built. With the growing focus on renewable energy and the need to reduce greenhouse gas emissions, hydrogen is expected to play an increasingly important role in the energy storage landscape.

Keywords: renewable energy systems, microgrid, hydrogen production, energy storage systems

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Authors: C. Trapp, A. Vijay, M. Khorasani

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Decentralised micro-grids with sector coupling can combat the spatial and temporal intermittence of renewable energy by combining power, transportation and infrastructure sectors. Intelligent energy conversion concepts such as electrolysers, hydrogen engines and fuel cells combined with energy storage using intelligent batteries and hydrogen storage form the back-bone of such a system. This paper describes a micro-grid based on Photo-Voltaic cells, battery storage, innovative modular and scalable Anion Exchange Membrane (AEM) electrolyzer with an efficiency of up to 73%, high-pressure hydrogen storage as well as cutting-edge combustion-engine based Combined Heat and Power (CHP) plant with more than 85% efficiency at the university campus to address the challenges of decarbonization whilst eliminating the necessity for expensive high-voltage infrastructure.

Keywords: sector coupling, micro-grids, energy self-sufficiency, decarbonization, AEM electrolysis, hydrogen CHP

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Authors: Yousaf Ayub

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A co-gasification process, which involves the utilization of both biomass and plastic waste, has been developed to enable the production of blue and green hydrogen. To support this endeavor, an Aspen Plus simulation model has been meticulously created, and sustainability analysis is being conducted, focusing on economic viability, energy efficiency, advanced exergy considerations, and exergoeconomics evaluations. In terms of economic analysis, the process has demonstrated strong economic sustainability, as evidenced by an internal rate of return (IRR) of 8% at a process efficiency level of 70%. At present, the process has the potential to generate approximately 1100 kWh of electric power, with any excess electricity, beyond meeting the process requirements, capable of being harnessed for green hydrogen production via an alkaline electrolysis cell (AEC). This surplus electricity translates to a potential daily hydrogen production of around 200 kg. The exergy analysis of the model highlights that the gasifier component exhibits the lowest exergy efficiency, resulting in the highest energy losses, amounting to approximately 40%. Additionally, advanced exergy analysis findings pinpoint the gasifier as the primary source of exergy destruction, totaling around 9000 kW, with associated exergoeconomics costs amounting to 6500 $/h. Consequently, improving the gasifier's performance is a critical focal point for enhancing the overall sustainability of the process, encompassing energy, exergy, and economic considerations.

Keywords: blue hydrogen, green hydrogen, co-gasification, waste valorization, exergy analysis

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Authors: M. Belhachemi, M. Monteiro de Castro, M. Casco, A. Sepúlveda-Escribano, F. Rodríguez-Reinoso

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In this study, activated carbons were prepared from Algerian date pits using thermal activation with CO2 or steam. The prepared activated carbons were doped by vanadium oxide in order to increase the H2 adsorption capacity. The adsorbents were characterized by N2 and CO2 adsorption at 77 K and 273K, respectively. The hydrogen adsorption experiments were carried at 298K in the 0–100 bar pressure range using a volumetric equipment. The results show that the H2 adsorption capacity is influenced by the size and volume of micropores in the activated carbon adsorbent. Furthermore, vanadium doping of activated carbons has a slight positive effect on H2 storage.

Keywords: hydrogen storage, activated carbon, vanadium doping, adsorption

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Authors: Akbar Rahmani Nejad, Pejman Rahmani Nejad, Ahmad Rahmani Nejad

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we proposed the arresting of atmospheric lightning and passing the electrical current of lightning-bolts through underground water tanks to produce Hydrogen and restoring Hydrogen in reservoirs to be used later as clean and sustainable energy. It is proposed to implement this method for storage of extra electrical power (instead of lightning energy) during low energy demand periods to produce hydrogen as a clean energy source to store in big reservoirs and later generate electricity by burning the stored hydrogen at an appropriate time. This method prevents the complicated process of changing the output power of nuclear power plants. It is possible to pass an electric current through sodium chloride solution to produce chlorine and sodium or human waste to produce Methane, etc. however atmospheric lightning is an accidental phenomenon, but using this free energy just by connecting the output of lightning arresters to the output of power plant during low energy demand period which there is no significant change in the design of power plant or have no cost, can be considered completely an economical design

Keywords: hydrogen gas, lightning energy, power plant, resistive element

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Authors: Anna Crivellari, Valerio Cozzani

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Even though most of the electricity produced in the entire world still comes from fossil fuels, new policies are being implemented in order to promote a more sustainable use of energy sources. Offshore renewable resources have become increasingly attractive thanks to the huge entity of power potentially obtained. However, the intermittent nature of renewables often limits the capacity of the systems and creates mismatches between supply and demand. Hydrogen is foreseen to be a promising vector to store and transport large amounts of excess renewable power by using existing oil and gas infrastructure. In this work, an offshore hybrid energy system integrating wind energy conversion with hydrogen production was conceptually defined and applied to offshore gas platforms. A techno-economic analysis was performed by considering two different locations for the installation of the innovative power system, i.e., the North Sea and the Adriatic Sea. The water depth, the distance of the platform from the onshore gas grid, the hydrogen selling price and the green financial incentive were some of the main factors taken into account in the comparison. The results indicated that the use of well-defined indicators allows to capture specifically different cost and revenue features of the analyzed systems, as well as to evaluate their competitiveness in the actual and future energy market.

Keywords: cost analysis, energy efficiency assessment, hydrogen production, offshore wind energy

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Authors: Monica Jong, Antonios Banos, Tom Scott, Chris Webster, David Fletcher

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Hydrogen, as a clean alternative to methane, is relatively easy to make, either from water using electrolysis or from methane using steam reformation. However, hydrogen is much trickier to store than methane, and without effective storage, it simply won’t pass muster as a suitable methane substitute. Physical storage of hydrogen is quite inefficient. Storing hydrogen as a compressed gas at pressures up to 900 times atmospheric is volumetrically inefficient and carries safety implications, whilst storing it as a liquid requires costly and constant cryogenic cooling to minus 253°C. This is where DU steps in as a possible solution. Across the periodic table, there are many different metallic elements that will react with hydrogen to form a chemical compound known as a hydride (or metal hydride). From a chemical perspective, the ‘king’ of the hydride forming metals is palladium because it offers the highest hydrogen storage volumetric capacity. However, this material is simply too expensive and scarce to be used in a scaled-up bulk hydrogen storage solution. Depleted Uranium is the second most volumetrically efficient hydride-forming metal after palladium. The UK has accrued a significant amount of DU because of manufacturing nuclear fuel for many decades, and that is currently without real commercial use. Uranium trihydride (UH3) contains three hydrogen atoms for every uranium atom and can chemically store hydrogen at ambient pressure and temperature at more than twice the density of pure liquid hydrogen for the same volume. To release the hydrogen from the hydride, all you do is heat it up. At temperatures above 250°C, the hydride starts to thermally decompose, releasing hydrogen as a gas and leaving the Uranium as a metal again. The reversible nature of this reaction allows the hydride to be formed and unformed again and again, enabling its use as a high-density hydrogen storage material which is already available in large quantities because of its stockpiling as a ‘waste’ by-product. Whilst the tritium storage credentials of Uranium have been rigorously proven at the laboratory scale and at the fusion demonstrator JET for over 30 years, there is a need to prove the concept for depleted uranium hydrogen storage (HyDUS) at scales towards that which is needed to flexibly supply our national power grid with energy. This is exactly the purpose of the HyDUS project, a collaborative venture involving EDF as the interested energy vendor, Urenco as the owner of the waste DU, and the University of Bristol with the UKAEA as the architects of the technology. The team will embark on building and proving the world’s first pilot scale demonstrator of bulk chemical hydrogen storage using depleted Uranium. Within 24 months, the team will attempt to prove both the technical and commercial viability of this technology as a longer duration energy storage solution for the UK. The HyDUS project seeks to enable a true by-product to wonder material story for depleted Uranium, demonstrating that we can think sustainably about unlocking the potential value trapped inside nuclear waste materials.

Keywords: hydrogen, long duration storage, storage, depleted uranium, HyDUS

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Authors: Francielo Vendruscolo

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This review summarizes the potential of starch agroindustrial residues as substrate for biohydrogen production. Types of potential starch agroindustrial residues, recent developments and bio-processing conditions for biohydrogen production will be discussed. Biohydrogen is a clean energy source with great potential to be an alternative fuel, because it releases energy explosively in heat engines or generates electricity in fuel cells producing water as only by-product. Anaerobic hydrogen fermentation or dark fermentation seems to be more favorable, since hydrogen is yielded at high rates and various organic waste enriched with carbohydrates as substrate result in low cost for hydrogen production. Abundant biomass from various industries could be source for biohydrogen production where combination of waste treatment and energy production would be an advantage. Carbohydrate-rich nitrogen-deficient solid wastes such as starch residues can be used for hydrogen production by using suitable bioprocess technologies. Alternatively, converting biomass into gaseous fuels, such as biohydrogen is possibly the most efficient way to use these agroindustrial residues.

Keywords: biofuel, dark fermentation, starch residues, food waste

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Authors: Setareh Shekarsaraei, Marjan Moridi, Nasser L. Hadipour

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In this study, nuclear magnetic resonance spectroscopy and nuclear quadrupole resonance spectroscopy parameters of 14N (Nitrogen in imidazole ring) in N–H…O hydrogen bonding for Histidine hydrochloride monohydrate were calculated via density functional theory. We considered a five-molecule model system of Histidine hydrochloride monohydrate. Also, we examined the trends of environmental effect on hydrogen bonds as well as cooperativity. The functional used in this research is M06-2X which is a good functional and the obtained results have shown good agreement with experimental data. This functional was applied to calculate the NMR and NQR parameters. Some correlations among NBO parameters, NMR, and NQR parameters have been studied which have shown the existence of strong correlations among them. Furthermore, the geometry optimization has been performed using M062X/6-31++G(d,p) method. In addition, in order to study cooperativity and changes in structural parameters, along with increase in cluster size, natural bond orbitals have been employed.

Keywords: hydrogen bonding, density functional theory (DFT), natural bond orbitals (NBO), cooperativity effect

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Authors: Hicham Idriss

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Hydrogen production from water is one of the most promising methods to secure renewable sources or vectors of energy for societies in general and for chemical industries in particular. At present over 90% of the total amount of hydrogen produced in the world is made from non-renewable fossil fuels (via methane reforming). There are many methods for producing hydrogen from water and these include reducible oxide materials (solar thermal production), combined PV/electrolysis, artificial photosynthesis and photocatalysis. The most promising of these processes is the one relying on photocatalysis; yet serious challenges are hindering its success so far. In order to make this process viable considerable improvement of the photon conversion is needed. Among the key studies that our group has been conducting in the last few years are those focusing on synergism between the semiconductor phases, photonic band gap materials, pn junctions, plasmonic resonance responses, charge transfer to metal cations, in addition to metal dispersion and band gap engineering. In this work results related to phase transformation of the anatase to rutile in the case of TiO2 (synergism), of Au and Ag dispersion (electron trapping and hydrogen-hydrogen recombination centers) as well as their plasmon resonance response (visible light conversion) are presented and discussed. It is found for example that synergism between the two common phases of TiO2 (anatase and rutile) is sensitive to the initial particle size. It is also found, in agreement with previous results, that the rate is very sensitive to the amount of metals (with similar particle size) on the surface unlike the case of thermal heterogeneous catalysis.

Keywords: photo-catalysis, hydrogen production, water splitting, plasmonic

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Authors: Kumaresh Selvakumar, Man Young Kim

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In order to elaborate the main idea of investigating the flow physics inside the catalytic combustor, the characteristics of the catalytic surface reactions are analyzed by employing the CHEMKIN methodology with detailed gas and surface chemistries. The presence of a catalyst inside an engine enables complete combustion at lower temperatures which promotes desired chemical reactions. A single channel from the honeycomb monolith catalytic combustor is preferred to analyze the gas and surface reactions in the catalyst bed considering the fact that every channel in the honeycomb monolith behaves in similar fashion. The simplified approach with single catalyst channel using plug flow reactor can be used to predict the flow behavior inside the catalytic combustor. The hydrogen addition to the combustion reactants offers a way to light-off catalytic combustion of methane on platinum catalyst and aids to reduce the surface ignition temperature. Indeed, the hydrogen adsorption is higher on the uncovered Pt(s) surface sites because the sticking coefficient of hydrogen is larger than that of methane. The location of flame position in the catalyst bed is validated by igniting the methane fuel with the presence of hydrogen for corresponding multistep surface reactions.

Keywords: catalytic combustor, hydrogen adsorption, plug flow reactor, surface ignition temperature

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Authors: Vishakha Kaim, Mookan Natarajan, Sandeep Kaur-Ghumaan

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Hydrogen is one of the most abundant elements present on earth’s crust and considered to be the simplest element in existence. It is not found naturally as a gas on earth and thus has to be manufactured. Hydrogen can be produced from a variety of sources, i.e., water, fossil fuels, or biomass and it is a byproduct of many chemical processes. It is also considered as a secondary source of energy commonly referred to as an energy carrier. Though hydrogen is not widely used as a fuel, it still has the potential for greater use in the future as a clean and renewable source of energy. Electrocatalysis is one of the important source for the production of hydrogen which could contribute to this prominent challenge. Metals such as platinum and palladium are considered efficient for hydrogen production but with limited applications. As a result, a wide variety of metal complexes with earth abundant elements and varied ligand environments have been explored for the electrochemical production of hydrogen. In nature, [FeFe] hydrogenase enzyme present in DesulfoVibrio desulfuricans and Clostridium pasteurianum catalyses the reversible interconversion of protons and electrons into dihydrogen. Since the first structure for the enzyme was reported in 1990s, a range of iron complexes has been synthesized as structural and functional mimics of the enzyme active site. Mn is one of the most desirable element for sustainable catalytic transformations, immediately behind Fe and Ti. Only limited number manganese complexes have been reported in the last two decades as catalysts for proton reduction. Furthermore, redox reactions could be carried out in a facile manner, due to the capability of manganese complexes to be stable at different oxidation states. Herein are reported, four µ2-thiolate bridged manganese complexes [Mn₂(CO)₆(μ-S₂N₄C₁₄H₁₀)] 1, [Mn₂(CO)7(μ- S₂N₄C₁₄H₁₀)] 2, Mn₂(CO)₆(μ-S₄N₂C₁₄H₁₀)] 3 and [Mn₂(CO)(μ- S₄N₂C₁₄H₁₀)] 4 have been synthesized and characterized. The cyclic voltammograms of the complexes displayed irreversible reduction peaks in the range - 0.9 to -1.3 V (vs. Fc⁺/Fc in acetonitrile at 0.1 Vs⁻¹). The complexes were catalytically active towards proton reduction in the presence of trifluoroacetic acid as seen from electrochemical investigations.

Keywords: earth abundant, electrocatalytic, hydrogen, manganese

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Authors: F. U. Rahman, R. Q. Zhang

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This work aims to develop a systematic numerical technique which can be easily extended to many-body problem. The Lippmann Schwinger equation (integral form of the Schrodinger wave equation) is solved for the nonrelativistic radial wave of hydrogen atom using iterative integration scheme. As the unknown wave function appears on both sides of the Lippmann Schwinger equation, therefore an approximate wave function is used in order to solve the equation. The Green’s function is obtained by the method of Laplace transform for the radial wave equation with excluded potential term. Using the Lippmann Schwinger equation, the product of approximate wave function, the Green’s function and the potential term is integrated iteratively. Finally, the wave function is normalized and plotted against the standard radial wave for comparison. The outcome wave function converges to the standard wave function with the increasing number of iteration. Results are verified for the first fifteen states of hydrogen atom. The method is efficient and consistent and can be applied to complex systems in future.

Keywords: Green’s function, hydrogen atom, Lippmann Schwinger equation, radial wave

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Authors: Fama Jallow, Melody Neaves, Professor Mcgregor

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The quest for sustainable energy sources has driven significant interest in hydrogen production as a clean and efficient fuel. Alkaline water electrolysis (AWE) has emerged as a prominent method for generating hydrogen, necessitating the development of advanced electrode designs with improved performance characteristics. Additive manufacturing (AM) by laser powder bed fusion (LPBF) method presents an opportunity to tailor electrode microstructures and properties, enhancing their performance. This research proposes investigating the AM of electrodes with different lattice structures to optimize hydrogen production. The primary objective is to employ advanced modeling techniques to identify and select two optimal lattice structures for electrode fabrication. LPBF will be used to fabricate electrodes with precise control over lattice geometry, pore size, and distribution. The performance evaluation will encompass energy consumption and porosity analysis. AWE will assess energy efficiency, aiming to identify lattice structures with enhanced hydrogen production rates and reduced power requirements. Computed tomography (CT) scanning will analyze porosity to determine material integrity and mass transport characteristics. The research aims to bridge the gap between AM and hydrogen production by investigating lattice structures potential in electrode design. By systematically exploring lattice structures and their impact on performance, this study aims to provide valuable insights into the design and fabrication of highly efficient and cost-effective electrodes for AWE. The outcomes hold promise for advancing hydrogen production through AM. The research will have a significant impact on the development of sustainable energy sources. The findings from this study will help to improve the efficiency of AWE, making it a more viable option for hydrogen production. This could lead to a reduction in our reliance on fossil fuels, which would have a positive impact on the environment. The research is also likely to have a commercial impact. The findings could be used to develop new electrode designs that are more efficient and cost-effective. This could lead to the development of new hydrogen production technologies, which could have a significant impact on the energy market.

Keywords: hydrogen production, electrode, lattice structure, Africa

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Authors: Retno A. S. Lestari, Wahyudi B. Sediawan, Siti Syamsiah, Sarto

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Sulfur-oxidizing bacteria were isolated and then grown on salak fruit seeds forming a biofilm on the surface. Their performances in sulfide removal were experimentally observed. In doing so, the salak fruit seeds containing biofilm were then used as packing material in a cylinder. Biogas obtained from biological treatment, which contains 27.95 ppm of hydrogen sulfide was flown through the packed bed. The hydrogen sulfide from the biogas was absorbed in the biofilm and then degraded by the microbes in the biofilm. The hydrogen sulfide concentrations at a various axial position and various times were analyzed. A set of simple kinetics model for the rate of the sulfide removal and the bacterial growth was proposed. Since the biofilm is very thin, the sulfide concentration in the Biofilm at a certain axial position is assumed to be uniform. The simultaneous ordinary differential equations obtained were then solved numerically using Runge-Kutta method. The values of the parameters were also obtained by curve-fitting. The accuracy of the model proposed was tested by comparing the calculation results using the model with the experimental data obtained. It turned out that the model proposed can describe the removal of sulfide liquid using bio-filter in the packed bed. The biofilter could remove 89,83 % of the hydrogen sulfide in the feed at 2.5 hr of operation and biogas flow rate of 30 L/hr.

Keywords: sulfur-oxidizing bacteria, salak fruit seeds, biofilm, packing material, biogas

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Authors: Samuel Mejorado

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C. Reinahrdtii serves as one of the most promising organisms from which to obtain biological hydrogen. However, its production catalyst, [FeFe]-hydrogenase, is largely inhibited by the presence of oxygen. In recent years, researchers have identified a Proton Gradient Regulation 5 (PGR5) deficient mutant, which shows enhanced respiration and lower accumulations of oxygen within the system. In this research, we investigated the effects of varying nutrient conditions on PGR5 mutants' ability to produce hydrogen. After growing PGR5 mutants in varying nutrient conditions under 55W fluorescent lamps at 30℃ with constant stirring at 200 rpm, a common water displacement method was utilized to obtain a definitive volumetric reading of hydrogen produced by these mutants over a period of 12 days. After the trials, statistical t-tests and ANOVAs were performed to better determine the effect which nutrient conditions have on PGR5 mutants' ability to produce hydrogen. In this, we report that conditions of sulfur deprivation most optimally enhanced hydrogen production within these mutants, with groups grown under these conditions demonstrating the highest production capacity over the entire 12-day period. Similarly, it was found that when grown under conditions of nitrogen deprivation, a favorable shift towards carbon fixation and overall lipid/starch metabolism was observed. Overall, these results demonstrate that PGR5-deficient mutants stand as a promising source of biohydrogen when grown under conditions of sulfur deprivation. To date, photochemical characteristics of [FeFe]-hydrogenase in these mutants have yet to be investigated under conditions of sulfur deprivation.

Keywords: biofuel, biohydrogen, [FeFe]-hydrogenase, algal biofuel

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Authors: Mohammad Reza Ghaani, Niall English

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Hydrogen is looked upon as the next-generation clean-energy carrier; the search for an efficient material and method for storing hydrogen has been, and is, pursued relentlessly. Clathrate hydrates are inclusion compounds wherein guest gas molecules like hydrogen are trapped in a host water-lattice framework. These types of materials can be categorised as potentially attractive hosting environments for physical hydrogen storage (i.e., no chemical reaction upon storage). Non-equilibrium molecular dynamics (NEMD) simulations have been performed to investigate thermal-driven break-up of propane-hydrate interfaces with liquid water at 270-300 K, with the propane hydrate containing either one or no hydrogen molecule in each of its small cavities. In addition, two types of hydrate-surface water-lattice molecular termination were adopted, at the hydrate edge with water: a 001-direct surface cleavage and one with completed cages. The geometric hydrate-ice-liquid distinction criteria of Báez and Clancy were employed to distinguish between the hydrate, ice lattices, and liquid-phase. Consequently, the melting temperatures of interface were estimated, and dissociation rates were observed to be strongly dependent on temperature, with higher dissociation rates at larger over-temperatures vis-à-vis melting. The different hydrate-edge terminations for the hydrate-water interface led to statistically-significant differences in the observed melting point and dissociation profile: it was found that the clathrate with the planar interface melts at around 280 K, whilst the melting temperature of the cage-completed interface was determined to be circa 270 K.

Keywords: hydrogen storage, clathrate hydrate, molecular dynamics, thermal dissociation

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Authors: Umair Ahmed, Muhammad Bin Irfan

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This study focuses on designing and optimization of an alkaline water electrolyser for the production of green hydrogen. The aim is to enhance the durability and efficiency of this technology while simultaneously reducing the cost associated with the production of green hydrogen. The experimental results obtained from the alkaline water electrolyser are compared with simulated results using Aspen Plus software, allowing a comprehensive analysis and evaluation. To achieve the aforementioned goals, several design and operational parameters are investigated. The electrode material, electrolyte concentration, and operating conditions are carefully selected to maximize the efficiency and durability of the electrolyser. Additionally, cost-effective materials and manufacturing techniques are explored to decrease the overall production cost of green hydrogen. The experimental setup includes a carefully designed alkaline water electrolyser, where various performance parameters (such as hydrogen production rate, current density, and voltage) are measured. These experimental results are then compared with simulated data obtained using Aspen Plus software. The simulation model is developed based on fundamental principles and validated against the experimental data. The comparison between experimental and simulated results provides valuable insight into the performance of an alkaline water electrolyser. It helps to identify the areas where improvements can be made, both in terms of design and operation, to enhance the durability and efficiency of the system. Furthermore, the simulation results allow cost analysis providing an estimate of the overall production cost of green hydrogen. This study aims to develop a comprehensive understanding of alkaline water electrolysis technology. The findings of this research can contribute to the development of more efficient and durable electrolyser technology while reducing the cost associated with this technology. Ultimately, these advancements can pave the way for a more sustainable and economically viable hydrogen economy.

Keywords: sustainable development, green energy, green hydrogen, electrolysis technology

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Authors: V. Pérez-Herranz, C. González-Buch, E. M. Ortega, S. Mestre

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In this work new macroporous Ni electrodes modified with Au nanoparticles for hydrogen production have been developed. The supporting macroporous Ni electrodes have been obtained by means of the electrodeposition at high current densities. Then, the Au nanoparticles were synthesized and added to the electrode surface. The electrocatalytic behaviour of the developed electrocatalysts was studied by means of pseudo-steady-state polarization curves, electrochemical impedance spectroscopy (EIS) and hydrogen discharge curves. The size of the Au synthetized nanoparticles shows a monomodal distribution, with a very sharp band between 10 and 50 nm. The characteristic parameters d10, d50 and d90 were 14, 20 and 31 nm respectively. From Tafel polarization data has been concluded that the Au nanoparticles improve the catalytic activity of the developed electrodes towards the HER respect to the macroporous Ni electrodes. EIS permits to obtain the electrochemically active area by means of the roughness factor value. All the developed electrodes show roughness factor values in the same order of magnitude. From the activation energy results it can be concluded that the Au nanoparticles improve the intrinsic catalytic activity of the macroporous Ni electrodes.

Keywords: Au nano particles, hydrogen evolution reaction, porous Ni electrodes, electrochemical impedance spectroscopy

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Authors: Jun Ying Lin, Tzu Hsiang Yen, Cha'o Kuang Chen

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Nowadays, the great majority believe that there is great potentiality in hydrogen storage alloy storing hydrogen by physical and chemical absorption. However, the hydrogen storage alloy is limited by high operation temperature. Scientists find that adding transition elements can improve the properties of hydrogen storage alloy. In this research, outstanding improvements of kinetic and thermal properties are given by the addition of Palladium and Titanium hydride to Magnesium-based hydrogen storage alloy. Magnesium-based alloy is the main material, into which TiH2 / Pd are added separately. Following that, materials are milled by a Planetary Ball Miller at 650 rpm. TGA/DSC and PCT measure the capacity, spending time and temperature of abs/des-orption. Additionally, SEM and XRD analyze the structures and components of material. It is clearly shown that Pd is beneficial to kinetic properties. 2MgH2-0.1Pd has the highest capacity of all the alloys listed, approximately 5.5 wt%. Secondly, there are not any new Ti-related compounds found from XRD analysis. Thus, TiH2, considered as the catalyst, leads to the condition of 2MgH2-TiH2 and 2MgH2-TiH2-0.1Pd efficiently absorbing hydrogen in low temperature. 2MgH2-TiH2 can reach roughly 3.0 wt% in 82.4 minutes at 50°C and 8 minutes at 100°C, while2MgH2-TiH2-0.1Pd can reach 2.0 wt% in 400 minutes at 50°C and in 48 minutes at 100°C. The lowest temperature of 2MgH2-0.1Pd and 2MgH2-TiH2 is similar (320°C), otherwise the lowest temperature of 2MgH2-TiH2-0.1Pd decrease by 20°C. From XRD, it can be observed that PdTi2 and Pd3Ti are produced by mechanical alloying when adding Pd as well as TiH2 into MgH2. Due to the synergistic effects between Pd and TiH2, 2MgH2-TiH2-0.1Pd owns the lowest dehydrogenation temperature. Furthermore, the Pressure-Composition-Temperature (PCT) curve of 2MgH2-TiH2-0.1Pd is measured at different temperature, 370°C, 350°C, 320°C and 300°C separately. The plateau pressure is given form the PCT curves above. In accordance to different plateau pressures, enthalpy and entropy in the Van’t Hoff equation can be solved. In 2MgH2-TiH2-0.1Pd, the enthalpy is 74.9 KJ/mol and the entropy is 122.9 J/mol. Activation means that hydrogen storage alloy undergoes repeat abs/des-orpting processes. It plays an important role in the abs/des-orption. Activation shortens the abs/des-orption time because of the increase in surface area. From SEM, it is clear that the grain size and surface become smaller and rougher

Keywords: hydrogen storage materials, magnesium hydride, abs-/des-orption performance, Plateau pressure

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Authors: Jamal Hussain Al-Smail

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Hydrogen fuel cells (HFCs) are environmentally friendly, energy converter devices that convert the chemical energy of the reactants (oxygen and hydrogen) to electricity through electrochemical reactions. The level of the electricity production of HFCs mainly increases depending on the oxygen distribution in the HFC’s cathode gas diffusion layer (GDL). With a constant porosity of the GDL, the electrochemical reaction can have a great variation that reduces the cell’s productivity and stability. Our findings bring a methodology in finding porosity designs of the diffusion layer to improve the oxygen distribution such that it results in a stable oxygen-hydrogen reaction. We first introduce a mathematical model involving the mass and momentum transport equations, in which a porosity function of the GDL is incorporated as a control for the fluid flow. We then derive numerical methods for solving the mathematical model. In conclusion, we present our numerical results to show how to design the GDL porosity to result in a uniform oxygen distribution.

Keywords: fuel cells, material porosity design, mathematical modeling, porous media

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Authors: Igor P. Maximkin, Arkady A. Yukhimchuk, Victor V. Baluev, Igor L. Malkov, Rafael K. Musyaev, Damir T. Sitdikov, Alexey V. Buchirin, Vasily V. Tikhonov

Abstract:

Minimization of tritium diffusion leakage when developing devices handling tritium-containing media is key problems whose solution will at least allow essential enhancement of radiation safety and minimization of diffusion losses of expensive tritium. One of the ways to solve this problem is to use Al₂O₃ high-strength non-porous ceramics as a structural material of the bed body. This alumina ceramics offers high strength characteristics, but its main advantages are low hydrogen permeability (as against the used structural material) and high dielectric properties. The latter enables direct induction heating of an hydride-forming metal without essential heating of the pressure and containment vessel. The use of alumina ceramics and induction heating allows: - essential reduction of tritium extraction time; - several orders reduction of tritium diffusion leakage; - more complete extraction of tritium from metal hydrides due to its higher heating up to melting in the event of final disposal of the device. The paper presents computational and experimental results for the tritium bed designed to absorb 6 liters of tritium. Titanium was used as hydrogen isotope sorbent. Results of hydrogen realize kinetic from hydride-forming metal, strength and cyclic service life tests are reported. Recommendations are also provided for the practical use of the given bed type.

Keywords: aluminum oxide ceramic, hydrogen pressure, hydrogen isotope storage, titanium hydride

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Authors: Retno A. S. Lestari, Wahyudi B. Sediawan, Siti Syamsiah, Sarto

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Sulfur-oxidizing bacteria were isolated and then grown on snakefruits seeds forming biofilm. Their performance in sulfide removal were experimentally observed. Snakefruit seeds were then used as packing material in a cylindrical tube. Biological treatment of hydrogen sulfide from biogas was investigated using biofilm on packed bed of snakefruits seeds. Biogas containing 27,9512 ppm of hydrogen sulfide was flown through the bed. Then the hydrogen sulfide concentrations in the outlet at various times were analyzed. A set of simple kinetics model for the rate of the sulfide removal and the bacterial growth was proposed. The axial sulfide concentration gradient in the flowing liquid are assumed to be steady-state. Mean while the biofilm grows on the surface of the seeds and the oxidation takes place in the biofilm. Since the biofilm is very thin, the sulfide concentration in the biofilm is assumed to be uniform. The simultaneous ordinary differential equations obtained were then solved numerically using Runge-Kutta method. The acuracy of the model proposed was tested by comparing the calcultion results using the model with the experimental data obtained. It turned out that the model proposed can be applied to describe the removal of sulfide liquid using bio-filter in packed bed. The values of the parameters were also obtained by curve-fitting. The biofilter could remove 89,83 % of the inlet of hydrogen sulfide from biogas for 2.5 h, and optimum loading of 8.33 ml/h.

Keywords: Sulfur-oxidizing bacteria, snakefruits seeds, biofilm, packing material, biogas

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Authors: Zulaika Mohd Khasiran

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The capability of ionic liquids in various applications makes them attracted by many researchers. They have potential to be developed as “green” solvents for gas separation, especially H2S gas. In this work, it is attempted to predict the solubility of hydrogen sulfide (H2S) in ILs by COSMO-RS method. Since H2S is a toxic pollutant, it is difficult to work on it in the laboratory, therefore an appropriate model will be necessary in prior work. The COSMO-RS method is implemented to predict the Henry’s law constants and activity coefficient of H2S in 140 ILs with various combinations of cations and anions. It is found by the screening that more H2S can be absorbed in ILs with [Cl] and [Ac] anion. The solubility of H2S in ILs with different alkyl chain at the cations not much affected and with different type of cations are slightly influence H2S capture capacities. Even though the cations do not affect much in solubility of H2S, we still need to consider the effectiveness of cation in different way. The prediction results only show their physical absorption ability, but the absorption of H2S need to be consider chemically to get high capacity of absorption of H2S.

Keywords: H2S, hydrogen sulfide, ionic liquids, COSMO-RS

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Authors: Gayathri Devi V, Aravamudan Kannan, Amit Sircar

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In the inner fuel cycle system of a nuclear fusion reactor, the Hydrogen Isotopes Removal System (HIRS) plays a pivoted role. It enables the effective extraction of the hydrogen isotopes from the breeder purge gas which helps to maintain the tritium breeding ratio and sustain the fusion reaction. One of the components of HIRS, Cryogenic Molecular Sieve Bed (CMSB) columns with zeolites adsorbents are considered for the physisorption of hydrogen isotopes at 1 bar and 77 K. Even though zeolites have good thermal stability and reduced activation properties making them ideal for use in nuclear reactor applications, their modest capacity for hydrogen isotopes adsorption is a cause of concern. In order to enhance the adsorbent capacity in an informed manner, it is helpful to understand the adsorption phenomena at the quantum electronic structure level. Physicochemical modifications of the adsorbent material enhances the adsorption capacity through the incorporation of active sites. This may be accomplished through the incorporation of suitable metal ions in the zeolite framework. In this work, molecular hydrogen isotopes adsorption on the active sites of functionalized zeolites are investigated in detail using Density Functional Theory (DFT) study. This involves the utilization of hybrid Generalized Gradient Approximation (GGA) with dispersion correction to account for the exchange and correlation functional of DFT. The electronic energies, adsorption enthalpy, adsorption free energy, Highest Occupied Molecular Orbital (HOMO), Lowest Unoccupied Molecular Orbital (LUMO) energies are computed on the stable 8T zeolite clusters as well as the periodic structure functionalized with different active sites. The characteristics of the dihydrogen bond with the active metal sites and the isotopic effects are also studied in detail. Validation studies with DFT will also be presented for adsorption of hydrogen on metal ion functionalized zeolites. The ab-inito screening analysis gave insights regarding the mechanism of hydrogen interaction with the zeolites under study and also the effect of the metal ion on adsorption. This detailed study provides guidelines for selection of the appropriate metal ions that may be incorporated in the zeolites framework for effective adsorption of hydrogen isotopes in the HIRS.

Keywords: adsorption enthalpy, functionalized zeolites, hydrogen isotopes, nuclear fusion, physisorption

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Authors: Paramita Banerjee, K. R. S. Chandrakumar, G. P. Das

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Bulk MgH2 has drawn much attention for the purpose of hydrogen storage because of its high hydrogen storage capacity (~7.7 wt %) as well as low cost and abundant availability. However, its practical usage has been hindered because of its high hydrogen desorption enthalpy (~0.8 eV/H2 molecule), which results in an undesirable desorption temperature of 3000C at 1 bar H2 pressure. To surmount the limitations of bulk MgH2 for the purpose of hydrogen storage, a detailed first-principles density functional theory (DFT) based study on the structure and stability of neutral (Mgm) and positively charged (Mgm+) Mg nanoclusters of different sizes (m = 2, 4, 8 and 12), as well as their interaction with molecular hydrogen (H2), is reported here. It has been found that due to the absence of d-electrons within the Mg atoms, hydrogen remained in molecular form even after its interaction with neutral and charged Mg nanoclusters. Interestingly, the H2 molecules do not enter into the interstitial positions of the nanoclusters. Rather, they remain on the surface by ornamenting these nanoclusters and forming new structures with a gravimetric density higher than 15 wt %. Our observation is that the inclusion of Grimme’s DFT-D3 dispersion correction in this weakly interacting system has a significant effect on binding of the H2 molecules with these nanoclusters. The dispersion corrected interaction energy (IE) values (0.1-0.14 eV/H2 molecule) fall in the right energy window, that is ideal for hydrogen storage. These IE values are further verified by using high-level coupled-cluster calculations with non-iterative triples corrections i.e. CCSD(T), (which has been considered to be a highly accurate quantum chemical method) and thereby confirming the accuracy of our ‘dispersion correction’ incorporated DFT calculations. The significance of the polarization and dispersion energy in binding of the H2 molecules are confirmed by performing energy decomposition analysis (EDA). A total of 16, 24, 32 and 36 H2 molecules can be attached to the neutral and charged nanoclusters of size m = 2, 4, 8 and 12 respectively. Ab-initio molecular dynamics (AIMD) simulation shows that the outermost H2 molecules are desorbed at a rather low temperature viz. 150 K (-1230C) which is expected. However, complete dehydrogenation of these nanoclusters occur at around 1000C. Most importantly, the host nanoclusters remain stable up to ~500 K (2270C). All these results on the adsorption and desorption of molecular hydrogen with neutral and charged Mg nanocluster systems indicate towards the possibility of reducing the dehydrogenation temperature of bulk MgH2 by designing new Mg-based nano materials which will be able to adsorb molecular hydrogen via this weak Mg-H2 interaction, rather than the strong Mg-H bonding. Notwithstanding the fact that in practical applications, these interactions will be further complicated by the effect of substrates as well as interactions with other clusters, the present study has implications on our fundamental understanding to this problem.

Keywords: density functional theory, DFT, hydrogen storage, molecular dynamics, molecular hydrogen adsorption, nanoclusters, physisorption

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Authors: Sam Bartlett, Thomas Bacquart, Arul Murugan, Abigail Morris

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Fuel cell electric vehicles provide the potential to decarbonise road transport, create new economic opportunities, diversify national energy supply, and significantly reduce the environmental impacts of road transport. A potential issue, however, is that the catalyst used at the fuel cell cathode is susceptible to degradation by impurities, especially sulphur-containing compounds. A recent European Directive (2014/94/EU) stipulates that, from November 2017, all hydrogen provided to fuel cell vehicles in Europe must comply with the hydrogen purity specifications listed in ISO 14687-2; this includes reactive and toxic chemicals such as ammonia and total sulphur-containing compounds. This requirement poses great analytical challenges due to the instability of some of these compounds in calibration gas standards at relatively low amount fractions and the difficulty associated with undertaking measurements of groups of compounds rather than individual compounds. Without the available reference materials and analytical infrastructure, hydrogen refuelling stations will not be able to demonstrate compliance to the ISO 14687 specifications. The hydrogen purity laboratory at NPL provides world leading, accredited purity measurements to allow hydrogen refuelling stations to evidence compliance to ISO 14687. Utilising state-of-the-art methods that have been developed by NPL’s hydrogen purity laboratory, including a novel method for measuring total sulphur compounds at 4 nmol/mol and a hydrogen impurity enrichment device, we provide the capabilities necessary to achieve these goals. An overview of these capabilities will be given in this paper. As part of the EMPIR Hydrogen co-normative project ‘Metrology for sustainable hydrogen energy applications’, NPL are developing a validated analytical methodology for the measurement of speciated sulphur-containing compounds in hydrogen at low amount fractions pmol/mol to nmol/mol) to allow identification and measurement of individual sulphur-containing impurities in real samples of hydrogen (opposed to a ‘total sulphur’ measurement). This is achieved by producing a suite of stable gravimetrically-prepared primary reference gas standards containing low amount fractions of sulphur-containing compounds (hydrogen sulphide, carbonyl sulphide, carbon disulphide, 2-methyl-2-propanethiol and tetrahydrothiophene have been selected for use in this study) to be used in conjunction with novel dynamic dilution facilities to enable generation of pmol/mol to nmol/mol level gas mixtures (a dynamic method is required as compounds at these levels would be unstable in gas cylinder mixtures). Method development and optimisation are performed using gas chromatographic techniques assisted by cryo-trapping technologies and coupled with sulphur chemiluminescence detection to allow improved qualitative and quantitative analyses of sulphur-containing impurities in hydrogen. The paper will review the state-of-the art gas standard preparation techniques, including the use and testing of dynamic dilution technologies for reactive chemical components in hydrogen. Method development will also be presented highlighting the advances in the measurement of speciated sulphur compounds in hydrogen at low amount fractions.

Keywords: gas chromatography, hydrogen purity, ISO 14687, sulphur chemiluminescence detector

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