Hydrogen Addition Research Articles

Synthesis of nitrogen-doped crystalline Ga2O3 thin films via trimethylgallium doped NH3/H2/N2/O2 premixed stagnation flames

This study presents a novel and cost-effective technique for fabricating nitrogen-doped crystalline α-Ga2O3 and β-Ga2O3 thin films under atmospheric pressure conditions through flame synthesis for the first time. We employ metal–organic ammonia (NH3)-assisted flame synthesis (MO-NAFS) in a quasi-one-dimensional trimethylgallium (TMG) doped NH3/H2/N2/O2 flat flame to achieve a one-step deposition of Ga2O3 onto c-plane α-Al2O3 substrates. We found that hydrogen (H2) addition directly impacts the crystallinity of the Ga2O3 thin film. When only NH3 is employed as the fuel, a thin-film single-crystal nitrogen-doped β-Ga2O3 was observed. Blending the NH3 with 5 % of H2 yields a single-crystal nitrogen-doped α-Ga2O3, while a further increase of H2 fraction up to 10 % results in a mixture of both α-Ga2O3 and β-Ga2O3 crystals. Remarkably, the nitrogen doping through MO-NAFS was found to persistently result in an N/O atomic ratio as high as 1.12, as determined by the XPS analysis. This approach paves the way to a simple and scalable means for producing crystalline nitrogen-doped Ga2O3 thin films with potential control of crystal phase composition through parameter adjustments.

The metabolic pathways of carbon assimilation and polyhydroxyalkanoate production by Rhodospirillum rubrum in response to different atmospheric fermentation.

The purple nonsulfur bacteria, Rhodospirillum rubrum, is recognized as a potential strain for PHAs bioindustrial processes since they can assimilate a broad range of carbon sources, such as syngas, to allow reduction of the production costs. In this study, we comparatively analyzed the biomass and PHA formation behaviors of R. rubrum under 100% CO and 50% CO gas atmosphere and found that pure CO promoted the PHA synthesis (PHA content up to 23.3% of the CDW). Hydrogen addition facilitated the uptake and utilization rates of CO and elevated 3-HV monomers content (molar proportion of 3-HV up to 9.2% in the presence of 50% H2). To elucidate the genetic events culminating in the CO assimilation process, we performed whole transcriptome analysis of R. rubrum grown under 100% CO or 50% CO using RNA sequencing. Transcriptomic analysis indicated different CO2 assimilation strategy was triggered by the presence of H2, where the CBB played a minor role. An increase in BCAA biosynthesis related gene abundance was observed under 50% CO condition. Furthermore, we detected the α-ketoglutarate (αKG) synthase, converting fumarate to αKG linked to the αKG-derived amino acids synthesis, and series of threonine-dependent isoleucine synthesis enzymes were significantly induced. Collectively, our results suggested that those amino acid synthesis pathways represented a key way for carbon assimilation and redox potential maintenance by R. rubrum growth under syngas condition, which could partly replace the PHA production and affect its monomer composition in copolymers. Finally, a fed-batch fermentation of the R. rubrum in a 3-l bioreactor was carried out and proved H2 addition indeed increased the PHA accumulation rate, yielding 20% ww-1 PHA production within six days.

Numerical Investigation of Hydrogen Role on Detonation of CH4/H2/air Mixtures

ABSTRACT Steady one-dimensional Zeldovich-von Neumann-Dӧring (ZND) calculation and thermo-chemical analysis are performed to investigate the hydrogen role on ZND detonation of CH4/H2/air mixtures. Different hydrogen blend ratios (i.e. Hbr) ranging from 0% to 100% are selected in this paper. The results show that hydrogen blend ratio has a significant impact on the ZND detonation reaction pathway of stoichiometric CH4-air mixtures. When Hbr ≤ 20%, CH4 is converted to CO2 by route 1: CH4 => CH3 => C2H6 => … => CO2 and route 2: CH4 => CH3 => CH3O => CH2O => HCO => CO => CO2. When Hbr ≥ 50%, CH3 in route 2 is directly converted to CH2O through R97 (CH3 + O <=> CH2O + H). This causes different ZND detonation structures. The induction length decreases with hydrogen addition. This is because R0 (H + O2 <=> O + OH) governs the heat release during the induction stage, enhancing the energy absorption in induction stage and the molecular thermal decomposition after leading shock wave. Finally, the effect of hydrogen blend ratio on the detonation cell size is explored, and a prediction model of detonation cell size incorporated with detonation stability parameter and induction length is developed for CH4/H2/air mixtures.

Numerical investigation of soot formation in methane/n-heptane laminar diffusion flame doped with hydrogen at elevated pressure

The addition of hydrogen in a dual-fuel mode based on natural gas and diesel offers great potential for improving engine efficiency and reducing emissions. Therefore, detailed numerical simulations have been used to explore the effects of soot formation characteristics of natural gas-diesel dual-fuel engines doped by hydrogen at elevated pressure. Numerical simulations are compared with available experimental data, the effects of H2 addition on soot formation in laminar CH4 + n-heptane, H2 + CH4 + n-heptane, FH2 + CH4 + n-heptane diffusion flames at 2, 4, 6 and 8 atm are simulated, FH2 is added to separate the H2 chemical effects. The results show that the dilution and thermal effects of H2 inhibit soot formation, while the chemical effects of H2 promote soot formation under different pressures. The addition of H2 increases the concentration of H and OH radicals, which promotes the formation of C2H2 and benzene (A1). By simplifying the reaction path and analyzing the production rate of A1, the mechanism of H2 addition to promote A1 formation is illustrated. The concentrations of polycyclic aromatic hydrocarbon (PAH) pyrene (A4), benzo(ghi)fluoranthene (BGHIF) and benzo(a)pyrene (BAPYR) are inhibited at higher pressures that result in lower inception and condensation rates. Therefore, the increase of hydrogen abstraction acetylene addition (HACA) rate is the main reason for the increase of soot formation under chemical effects. While the O2 oxidation rate decreases and the OH oxidation rate increases, that is due to the decrease of O2 concentration and the increase of OH concentration in the soot formation area under chemical effects.

Investigations on conical lean turbulent premixed hydrogenated natural gas flames

Hydrogen's ability to enhance carbon neutrality in combustion processes puts forward the use of hydrogenated fuels, both in the form of fuel and an energy carrier as a potential decarbonization solution. However, because of the nature of hydrogen, blending it with hydrocarbons causes crucial structural changes in the flame structure, including higher flame propagation velocities and higher flame temperatures, decreased instantaneous flame thickness, and increased risks of flame flashback and an increasing potential of NOx emissions due to higher flame temperatures. These attributes encourage a thorough examination of hydrogenated blends of hydrocarbon fuels. Using lean premixed fuels is another technique to achieve efficient and cleaner combustion. However, due to the problem of flame instability in lean premixed combustion, forecasting the design points in terms of flame attributes is critical for better combustor designs.In this study, conical (Bunsen type) lean premixed turbulent flames of hydrogenated natural gas-air mixtures are experimentally studied. Through chemiluminescence measurements of the OH* and CH* radicals and laser-induced Mie scattering, lean natural gas-air premixed flames are examined with subsequently increasing hydrogen addition rates up to 20% by volume and keeping the premixture velocity constant. The obtained data is utilized for exploring the dynamics of the turbulent flame front. The main turbulent premixed flame parameters we identified relate to the instantaneous and average topology of the flame such as the turbulent flame brush thickness and flame height. We also inferred global combustion parameters like the turbulent flame propagation speed from the experimental findings.

Implications for the Hydrogenation of Propyne and Propene with Parahydrogen due to the in situ Transformation of Rh2C to Rh0/C.

NMR spectroscopy studies using parahydrogen-induced polarization have previously established the existence of the pairwise hydrogen addition route in the hydrogenation of unsaturated hydrocarbons over heterogeneous catalysts, including those based on rhodium (Rh0). This pathway requires the incorporation of both hydrogen atoms from one hydrogen molecule to the same product molecule. However, the underlying mechanism for such pairwise hydrogen addition must be better understood. The involvement of carbon, either in the form of carbonaceous deposits on the surface of a catalyst or as a metal carbide phase, is known to modify catalytic properties significantly and thus could also affect the pairwise hydrogen addition route. Here, we explored carbon's role by studying the hydrogenation of propene and propyne with parahydrogen on a Rh2C catalyst and comparing the results with those for a Rh0/C catalyst obtained from Rh2C via H2 pretreatment. While the catalysts Rh2C and Rh0/C differ notably in the rate of conversion of parahydrogen to normal hydrogen as well as in terms of hydrogenation activity, our findings suggest that the carbide phase does not play a significant role in the pairwise H2 addition route on rhodium catalysts.

Suppressive effects of potassium salt modified dry water material on hydrogen/methane mixture explosion

As a new type of energy, hydrogen-enriched methane mixed fuel has a high risk of deflagration in the application process. In order to better understand the deflagration and inhibition characteristics of hydrogen-enriched methane fuel, the effect of potassium salt modified dry water material (DW) on the deflagration characteristics of hydrogen-enriched methane fuel was studied by 20 L spherical explosive apparatus, combined with pyrolysis characteristics and kinetic model. The results show that when the addition of different modifier concentrations, it can be divided into three types: small curvature, medium curvature and large curvature according to the change of pressure rising rate. With the increase of the proportion of potassium salt modifiers, the number of areas with small curvature is gradually increasing, the number of large curvature is gradually decreasing, and the number of medium curvature is almost unchanged. When the proportion of potassium salt modifier is 15% and ϕ ≤ 0.7, all enter the area below the medium curvature. When the addition of different modifiers, 15%KCl-DW has the best inhibition effect on Pmax and (dP/dt) max, while CH3COOK-DW and K2CO3-DW have better inhibition effect on Δt2 and Δt2. In general, when the hydrogen addition ratio is less than 70%, the addition of inhibitors can significantly reduce the explosion intensity. In terms of inhibition mechanism, we established the decomposition model of potassium salt modified dry water and found that potassium salt modified dry water will produce a large amount of gaseous K and KOH in the explosion system. And gaseous K and KOH will catalyze each other and combine with H and OH to form stable H2O, which significantly reduces the mass fraction of H and OH radicals in the chain reaction. The results of this paper provide a theoretical basis for the safe use of hydrogen-enriched methane fuel and the research and development of explosion emergency prevention and control technology.

Effect of Hydrogen Addition on Soot Reduction in Diffusion Flames

This study explores the effects of hydrogen addition on soot reduction in methane-air diffusion flames, employing computational analysis coupled with chemical equilibrium and k-epsilon combustion turbulence models. By varying the fuel mixture with hydrogen mass percentages ranging from 0% to 11%, alterations in flame behaviour were observed. Results revealed a notable increase in maximum flame temperature at 1.3% hydrogen addition, attributed to enhance combustion efficiency, while subsequent additions led to temperature decrements due to dilution effects. Concurrently, soot production exhibited a general decrease, with reductions quantified up to 96.7% compared to baseline conditions, primarily due to improved oxidation and decreased carbon content. Additionally, the position of maximum flame temperature and soot mass fraction shifted along the axial direction owing to hydrogen's higher flammability compared to methane-air diffusion. These findings offer insights into optimizing flame characteristics for reduced particulate matter emissions, emphasizing the potential of hydrogen addition in mitigating soot formation in diffusion flames.

Laminar burning velocity, radiative heat loss and cellular instability for NH3/biogas/H2/air premixed flame

This study presents, for the first time, a comprehensive investigation into the laminar flame propagation of ammonia/biogas/hydrogen/air mixtures. The laminar burning velocities (LBVs) were determined using the outwardly propagating spherical flame method under atmospheric temperature and elevated pressures across various equivalence ratios. The Okafor and CEU–NH3–Mech-1.1 mechanisms showed the best agreement with flame speed measurements. The influence of equivalence ratio, hydrogen ratio, and initial pressure on LBV was examined. Results indicate that LBV varies non-monotonically with the equivalence ratio, decreases with increasing pressure, and increases with higher hydrogen ratios. The enhancement of LBV due to hydrogen addition is mainly attributed to chemical effects, with thermal effects also playing a role. Given the significant CO2 content in biogas, which is a key radiative species, the study also analyzed the radiative heat loss of ammonia/biogas/hydrogen mixtures. It was found that as the equivalence ratio nears the flammability limit, LBV is more affected by radiative heat loss, with a lower hydrogen ratio increasing this effect. Additionally, higher CO2 mole fractions in biogas increase radiative heat loss. Detailed analysis of cellular instability, considering factors such as thermal expansion ratio, flame thickness, effective Lewis number, the logarithmic growth rate of perturbations and in conjunction with schlieren images, revealed that flame instability is enhanced with higher initial pressure and hydrogen ratios, while higher equivalence ratios inhibit instability.

Clumped Isotope Signatures of Abiotic Methane: The Role of the Combinatorial Isotope Effect

AbstractMethane clumped isotope signatures of abiogenesis may be diagnostic of the origin of methane on Earth and other planetary bodies. We performed synthesis of abiogenic methane in hydrothermal conditions between 130 and 300°C and determined δ13C, δD, Δ13CH3D, and Δ12CH2D2. The experiments were performed by heating water in the presence of Fe0 powder and CO. The reduction of water on metallic iron led to the formation of H2. CO was reacted with both H2 and H2O, generating both CH4 and CO2. Methane δ13C values are isotopically depleted by ∼25‰ relative to the CO starting material. This is consistent with carbon isotopic equilibrium between methane, carbon monoxide and carbon dioxide in our experiments. In contrast, D/H ratios are inconsistent with equilibrium isotopic fractionation, as illustrated by δD values of methane fractionated by ∼500‰ relative to starting H2O. This suggests that under our experimental conditions, hydrogen additions to carbon may be governed by kinetics. Δ13CH3D values track experimental temperature, with values between +1.5‰ and +5.0‰ for most samples. In contrast, Δ12CH2D2 values are displaced from equilibrium. We find exclusively negative Δ12CH2D2 values, showing deficits down to 40‰ relative to thermodynamic equilibrium. We interpret the data as evidence for distinct, kinetically induced D/H pools contributing to methane assembly, that is, a combinatorial effect. The cumulative D/H fractionations associated with CO hydrogenation explain the direction and magnitude of Δ12CH2D2 values during abiotic methane formation. We suggest that near equilibrium Δ13CH3D with negative Δ12CH2D2 signatures will help identify methane formed abiotically in nature.

Numerical study of hydrogen ratio effect on detonation initiation characteristics of aviation kerosene with hydrogen addition

Detonation initiation is one of the most important problems in the research of pulse detonation engine (PDE). It is difficult for aviation kerosene to meet the performance requirement of short-distance detonation initiation in PDE. Hydrogen can improve the detonability of fuels. Aviation kerosene with hydrogen addition provides a new method to shorten the detonation initiation distance in PDE. Therefore, hydrogen ratio effect on detonation initiation characteristics of hydrogen-doped aviation kerosene was studied by two-dimensional numerical simulation with the adoption of standard k-ε model, finite rate reaction model and simplified aviation kerosene/hydrogen/air reaction kinetics mechanism. The results indicated that hydrogen-doped aviation kerosene/air mixtures could not be successfully detonated with the minimum hydrogen ratio of 9.73 %, while the detonation was eventually initiated with higher hydrogen ratios, suggesting that the detonability of hydrogen-doped aviation kerosene was improved by increasing hydrogen ratio. The critical hydrogen ratio of 11 % was determined by further research. As the hydrogen ratio increased, the initiation time and distance of the plane detonation wave first increased slowly and then decreased rapidly, while the detonation velocity raised monotonically. The degree of spherical wave decoupling had an influence on the detonation initiation. Specifically, less spherical wave decoupling induced two Mach stems to propagate at the same time, which was conducive to accelerating the initiation of plane detonation.

Numerical and experimental investigations of swirl-stabilized partially premixed flames using natural gas-hydrogen-air mixtures

This study uses experimental and numerical techniques to examine natural gas and hydrogen mixtures as fuel with a partially premixed swirl-stabilized burner. Variations in the fuel mixture composition were investigated throughout the course of the study. In the experiments, hydrogen was gradually added to the fuel combination, initially made only of natural gas. Chemiluminescence imaging was used to examine how the addition of hydrogen affected the stability and overall structure of the flame. Throughout the experiments, the overall volumetric fuel flow rate remained constant. The change to the flame stabilization mode from a detached flame to a burner attached flame only happened once a certain volumetric hydrogen ratio (H2VOL%) in the fuel was attained. Numerical simulations also evaluated how the lifted flame dimensions and stabilization method changed. The simulations are performed using a commercial compressible, finite volume Large Eddy Simulation software and include the Thickened Flame Model (TFM) for turbulence-chemistry interactions, the Flamelet Generated Manifold (FGM) combustion model, and the Large Eddy Simulation (LES) turbulence model. Experimental and numerical results show that the flame lowers and becomes more compact as the H2VOL% increases. Additionally, experimental and numerical data showed that the flame stabilization mode changes for H2VOL% approaching the value of 70%.

Numerical Simulation and Field Experimental Study of Combustion Characteristics of Hydrogen-Enriched Natural Gas

For the safe and efficient utilization of hydrogen-enriched natural gas combustion in industrial gas-fired boilers, the present study adopted a combination of numerical simulation and field tests to investigate its adaptability. Firstly, the combustion characteristics of hydrogen-enriched natural gas with different hydrogen blending ratios and equivalence ratios were evaluated by using the Chemkin Pro platform. Secondly, a field experimental study was carried out based on the WNS2-1.25-Q gas-fired boiler to investigate the boiler’s thermal efficiency, heat loss, and pollutant emissions after hydrogen addition. The results show that at the same equivalence ratio, with the hydrogen blending ratio increasing from 0% to 25%, the laminar flame propagation speed of the fuel increases, the extinction strain rate rises, and the combustion limit expands. The laminar flame propagation speed of premixed methane/air gas reaches the maximum value when the equivalence ratio is 1.0, and the combustion intensity of the flame is the highest at this time. In the field tests, as the hydrogen blending ratio increases from 0% to nearly 10% with the increasing excess air ratio, the boiler’s thermal efficiency decreases as well as the NOx emission. This indicates that there exists a tradeoff between the boiler thermal efficiency and NOx emission in practice.

Retrofitting Natural Gas–Fired Boiler for Hydrogen Combustion: Operational Performance and NOx Emissions

Abstract The effects of hydrogen fraction (HF: volumetric fraction of H2 in the fuel mixture of CH4 + H2) from 0% to 100% by volume, on the thermal and environmental performance of a 207-MW industrial water tube boiler, are investigated numerically at a fixed excess air factor, λ = 1.15. This study aims to determine the hardware modifications required for boilers to be retrofitted for pure hydrogen operation and investigates how NOx emissions are affected by hydrogen enrichment. The results showed insignificant increases in maximum combustion temperature with increasing the HF, though the distributions of temperature profiles are distinct. In reference to the basic methane combustion, H2 flames resulted in a positive temperature rise in the vicinity of the burner. Increasing the HF from 0% to 2% resulted in higher average thermal NOx emissions at the boiler exit section from 37 up to 1284 ppm, then it decreased to 1136 ppm at HF = 30%, and later it leveled up to 1474 ppm at HF = 100%. The spots for higher differences in NO formation compared to the reference case are shifted downstream at higher HFs. The effect of hydrogen enrichment on CO2 and H2O as radiation sources, as well as the volumetric absorption radiation of the furnace wall and the heat flux at furnace surfaces, has all been presented in relation to the effect of hydrogen addition on boiler performance.

Computational insights into flame development and emission formation in an ammonia engine with hydrogen-assisted pre-chamber turbulent jet ignition

Ammonia, as a promising green fuel for achieving carbon neutrality and zero-carbon emissions, encounters obstacles in practical engine applications due to its intrinsic combustion properties like low burning velocity and high autoignition temperature. Hydrogen-assisted pre-chamber turbulent jet ignition (TJI) technology has recently demonstrated great potential in extending the lean limits and enhancing the stability of ammonia combustion. As such, this study conducts a comprehensive analysis on the flame development and emission formation processes under the active pre-chamber TJI mode fueled with ammonia and hydrogen using computational fluid dynamics (CFD) modeling integrated with detailed chemical kinetics, particularly focusing on the effects of hydrogen energy ratio and spark timing. It is found that the active ammonia-hydrogen TJI engine is typically characterized by four primary physical processes involving H2 mixture preparation in the pre-chamber, flame kernel formation and development within the pre-chamber, the formation and ejection of hot jet across the orifices, and the turbulent flame initiation and propagation in the main chamber. Hydrogen injection holds a scavenging effect on the residuals in the pre-chamber while forms fuel stratification near the spark plug, enhancing the ignition stability. Besides, the current combustion mode is commonly characterized by two-stage heat release in the main chamber, but exhibits a three-stage heat release as increasing the premixed H2 ratio. The first stage is dominated by a hot jet flame, the second stage is characterized by turbulent flame propagation or autoignition, and the third stage is induced by a secondary jet ejected from the pre-chamber, which becomes more prominent as the H2 ratio increases. Hydrogen blending could not only facilitate the turbulent flame propagation of NH3-air mixture in the main chamber but also enhance the initiation of flame kernel in the pre-chamber, thereby promoting the overall combustion process and potentially improving the thermal efficiency. The N2O emission is produced in two distinct stages, wherein N2O is generated and undergoes conversion during the main combustion phase, while unburned crevice gases mix with burned gases and convert into N2O during the expansion stroke. Increasing the premixed hydrogen ratio leads to an increased in-cylinder temperature, which in turn facilitates a reduction in N2O emissions and mitigates unburned ammonia. Furthermore, optimization of the spark timing is required after implementing the hydrogen addition into the intake manifold to achieve desirable combustion phasing and further improve the thermal efficiency. Finally, a novel combustion concept, denoted as TJI assisted compression ignition mode, is proposed for achieving high thermal efficiency in ammonia engines via adopting high compression ratio and premixed ammonia-hydrogen charge under the TJI strategy.

How the addition of atomic hydrogen to a multiple bond can be catalyzed by water molecules.

Observational data show complex organic molecules in the interstellar medium (ISM). Hydrogenation of small unsaturated carbon double bond could be one way for molecular complexification. It is important to understand how such reactivity occurs in the very cold and low-pressure ISM. Yet, there is water ice in the ISM, either as grain or as mantle around grains. Therefore, the addition of atomic hydrogen on double-bonded carbon in a series of seven molecules have been studied and it was found that water catalyzes this reaction. The origin of the catalysis is a weak charge transfer between the π MO of the unsaturated molecule and H atom, allowing a stabilizing interaction with H2O. This mechanism is rationalized using the non-covalent interaction and the quantum theory of atoms in molecules approaches.

Research on the Mechanism and Propagation Characteristics of Combustion and Explosion of Natural Gas/Ammonia/Hydrogen Mixed Gas Fuel.

The addition of ammonia and hydrogen into natural gas fuel is an effective method to reduce carbon emissions. This study aims to investigate the effect of adding ammonia and hydrogen on the mechanism of natural gas combustion and emission characteristics. Based on a self-developed mixed gas deflagrate experimental platform, the deflagrate characteristics, emission characteristics, and chemical reaction kinetics mechanism of mixed gas fuels under different composition ratios (natural gas 0-100%, hydrogen 10-85%, and ammonia 0-100%) were studied. The results indicate that the propagation of the deflagration shock wave can be categorized into an initial stage (L < 3 m) and a development stage (L > 3 m) based on the observed trend of shock wave intensity variation with distance. The intensity of the deflagration shock wave for the mixed gases increases monotonically as the hydrogen content ratio rises. In contrast, the impact of the ammonia content ratio on the shock wave intensity exhibits a distinct pattern that varies with changes in the equivalence ratio and hydrogen content ratio. In terms of carbon emissions per unit of heat value produced by the fuel, adding hydrogen to natural gas proves to be more effective at reducing carbon emissions than adding ammonia. When the ammonia content ratio is 50% and the hydrogen content ratio is 40%, the combustion performance of the mixed gas fuel is similar to that of natural gas, but its carbon emissions are lower than 30% of natural gas, making it a new type of mixed fuel with potential application value; the interaction between reflected pressure waves and flames is the main reason for the fluctuation of deflagrate shock wave pressure; ammonia lowers the temperature of the reaction system by reducing the concentration of OH radicals.

The influence of hydrogen content on the Zr-4 alloy diffusion bonding joint: From experiments to molecular dynamics simulations

Bonding the Zr-4 alloy in the high temperature can lead to many problems, for example grain coarsening and large welding deformation resulting from high residual stresses. Hydrogenation is an effective approach to decrease the bonding temperature. In the present research, the influence of hydrogen contents on the microstructure evolution and shear strength of Zr-4 alloy joints were studied. The number of interface voids markedly decreased with increasing hydrogen content at 650 °C. A sound joint was obtained at the hydrogen content of 0.2 wt% hydrogen. This achieved joint had a shear strength of 244 MPa, and the fracture mode of the joint presented the brittle/ductile mixed mode. With the increase of hydrogen content, the flow stress of the hydrogenated Zr-4 alloy decreased due to the decomposition of zirconium hydrides. The plasticity of the joint enhanced with increasing hydrogen content in the view of electron backscatter diffraction (EBSD) results, and the kernel average misorientation increased from 0.11° to 0.77°. In addition, the diffusion behavior and diffusion coefficient of the Zr atoms were investigated by molecular dynamics simulation. The calculation results showed that hydrogen enhanced the diffusivity of the Zr atoms, and the diffusion coefficient of the Zr atoms accordingly increased by four orders of magnitude. The addition of hydrogen influenced the directly diffusion bonding process through two aspects: improvement of plasticity and enhancement of diffusion ability.

Branching-Chain Propagation of Parahydrogen-Derived Nuclear Spin Order on a Catalyst Surface.

This study reveals that, when two hydrogen atoms are produced on the surface of a catalyst (e. g., a metal nanoparticle) upon dissociation of a parahydrogen molecule, their initial nuclear spin correlation can propagate in a branching-chain fashion as they diffuse and combine with random H atoms to produce H2 molecules, which subsequently dissociate. This process leads to a gradual dilution of the non-equilibrium nuclear spin order, but the number of involved H atoms that share the spin order becomes larger. These conclusions, confirmed by the spin density matrix calculations, may be relevant in the context of parahydrogen-induced polarization (PHIP) in heterogeneous hydrogenations catalyzed by supported metal catalysts, the observation of which apparently contradicts the accepted non-pairwise mechanism of the addition of hydrogen to an unsaturated substrate over such catalysts. The potential consequences of the reported findings are discussed in the context of PHIP effects and beyond.

Hydrogen in the Natural Gas Network—Relevance for Existing Fire Precautions

Power-to-gas technology can be used to convert excess power from renewable energies to hydrogen by means of water electrolysis. This hydrogen can serve as “chemical energy storage” and be converted back to electricity or fed into the natural gas grid. In the presented study, a leak in a household pipe in a single-family house with a 13 kW heating device was experimentally investigated. An admixture of up to 40% hydrogen was set up to produce a scenario of burning leakage. Due to the outflow and mixing conditions, a lifted, turbulent diffusion flame was formed. This led to an additional examination point and expanded the aim and novelty of the experimental investigation. In addition to the fire safety experimental simulation of a burning leakage, the resulting complex properties of the flame, namely the lift-off height, flame length, shape and thermal radiation, have also been investigated. The obtained results of this show clearly that, as a consequence of the hydrogen addition, the main properties of the flame, such as lifting height, flame temperature, thermal radiation and total heat flux densities along the flame, have been changed. To supplement the measurements with thermocouples, imaging methods based on the Sobel gradient were used to determine the lifting height and the flame length. In order to analyze the determined values, a probability density function was created.