Safety

Diffusion coefficient is in significant dependence on vacancy concentration due to that migration of vacancy is the dominant mechanism of atom transport or diffusion in processes such as void formation dislocation movement and solid phase transformation. This study aims to investigate the effect of vacancy concentration on hydrogen diffusion in alpha-Fe by molecular dynamics simulations especially at low temperatures and with loading. Comparisons of the diffusion coefficients between alpha-Fe with a perfect structure and different-concentration vacancies as well as comparisons between experimental and theoretical results had been made to characterize and summarize the effect of vacancy on hydrogen diffusion coefficient.

The flame velocities of unconfined gas explosions depend on the cloud size and the distance from the initiating source. The mechanisms for this effect are not fully understood; a possible explanation is turbulence generated by the propagating flame front. The molecular bands in the flame front are exposed to continuously increasing radiation intensity of water bands in the interior of the reaction product ball. A first approach to verifying this assumption is described in this paper. The flame propagation was observed by high speed video techniques including time resolved spectroscopy in the UV-Vis-NIR spectral range with a time resolution up to 3000 spectra/s. Ignition flame head velocity flame contours reacting species and temperatures were evaluated. The evaluation used video brightness subtraction and 1-dimensional image contraction to obtain traces of the movements perpendicular to the direction of propagation. Flame front velocities are found to be between 16m/s and 25 m/s. Analysis focused in particular on the flame front which is not smooth. Salients emerge on the surface to result in the well-known cellular structures. The radiation of various bands from the fire ball on the reacting species is estimated to have an influence on the flame velocity depending on the distance from initiation. Evaluation of OH-band and water band spectra might indicate might indicate higher temperatures of the flame front induced by radiation of the fireball. But it is difficult to verify the effect relative to competing flame acceleration mechanisms.

This paper describes experimental and numerical modelling results from an investigation into the flammability profiles associated with high pressure hydrogen jets released in close proximity to surfaces. This work was performed under a Transnational Access Agreement activity funded by the European Research Infrastructure project H2FC.<br/>The experimental programme involved ignited and unignited releases of hydrogen at pressures of 150 and 425 barg through nozzles of 1.06 and 0.64 mm respectively. The proximity of the release to a ceiling or the ground was varied and the results compared with an equivalent free-jet test. During the unignited experiments concentration profiles were measured using hydrogen sensors. During the ignited releases thermal radiation was measured using radiometers and an infra-red camera. The results show that the flammable volume and flame length increase when the release is in close proximity to a surface. The increases are quantified and the safety implications discussed.<br/>Selected experiments were modelled using the CFD model FLACS for validation purposes and a comparison of the results is also included in this paper. Similarly to experiments the CFD results show an increase in flammable volume when the release is close to a surface. The unstable atmospheric conditions during the experiments are shown to have a significant impact on the results.

The effects of sponge blockage ratio on flame structure evolution and flame acceleration were experimentally investigated in an obstructed cross-section tube filled with stoichiometric hydrogen-air mixture. Experimental results show that the mechanisms responsible for flame acceleration can be in terms of the positive feedback of the unburned gas field generated ahead of the flame the area change of the gap between the sponge and the tube and the interaction between the flame and the shear layer appearing at the sponge left top corner. Especially the last one dominates the flame acceleration and causes its speed to be sonic. Then both the second and third contribute to the violent flame acceleration. In addition the unburned gas pockets can be found in both upstream and downstream regions of the sponge. With increasing blockage ratio the unburned gas pockets disappear easier and the flame acceleration is more pronounced. Moreover the sponge tilts more evidently and resultantly the maximum tilt angle increases.

Structures formed during gas mixing following an injection of a gas into atmosphere are analyzed using optic methods based on the detection of density non-uniformities. Methods for determination of fractal parameters for a random distribution of these non-uniformities are described and information revealed on the gas mixing structure is analyzed. The BOS (background oriented schlieren) technique is utilized to obtain the optical image of the forming structures which afterward is processed using the correlation procedure allowing to extract the quantitative information on the mixing. Additionally a possibility to link the characteristics of the injected gas source and the system fractal parameters was demonstrated. The method can be used in the development of the non-contact methods for the evaluation of the gaseous system parameters based on the optical diagnostics and potentially for the obtaining more detailed information of the gaseous turbulence.

Hydrogen stored or transported as ammonia has been proposed as a sustainable carbon-free alternative for fossil-fuels in high-temperature industrial processes including power generation. Although ammonia itself is toxic and exhibits both a low flame speed and calorific value it rapidly decomposes to hydrogen in high temperature environments suggesting the potential use in applications which incorporate fuel preheating. In this work the rate of ammonia-to-hydrogen decomposition is initially simulated at elevated temperatures to indicate the proportion of fuel conversion in conditions similar to gas pipelines gas-turbines or furnaces with exhaust-gas recirculation. Following this different proportions of hydrogen and ammonia are numerically simulated in independent zero-dimensional plug-flow-reactors at pressures ranging from atmospheric to 50 MPa and pre-heating temperatures from 600 K to 1600 K. Deflagration of very-lean-to-fuel-rich mixtures was investigated employing air as the oxidant stream. Analyses of these reactors provide estimates of autoignition thresholds of the hydrogen/ammonia blends which are relevant for the safe implementation and operation of hydrogen/ammonia blends or pure ammonia as a fuel source. Further operational considerations are subsequently identified for using ammonia or hydrogen/ammonia blends as a hydrogen fuel carrier by quantifying residual concentrations of hydrogen and ammonia fuel products as well as other toxic emissions within the hot exhaust products.

RCS for hydrogen technologies were first developed approximately sixty years ago when hydrogen was being sold as an industrial commodity. The advent of new hydrogen technologies such as Fuel Cell Electric Vehicles (FCEVs) created a need for new RCS. These RCS have been developed with extensive support from the US DOE. These new hydrogen technologies are approaching commercial deployment and this process will produce information on RCS field performance that will create more robust RCS.

During the filling of hydrogen tanks high temperatures can be generated inside the vessel because of the gas compression while during the emptying low temperatures can be reached because of the gas expansion. The design temperature range goes from −40 °C to 85 °C. Temperatures outside that range could affect the mechanical properties of the tank materials. CFD analyses of the filling and emptying processes have been performed in the HyTransfer project. To assess the accuracy of the CFD model the simulation results have been compared with new experimental data for different filling and emptying strategies. The comparison between experiments and simulations is shown for the temperatures of the gas inside the tank for the temperatures at the interface between the liner and the composite material and for the temperatures on the external surface of the vessel.

For the emerging hydrogen-powered vehicles the safety concern is one of the most important barriers for their further development and commercialization. The safety of commercial natural gas vehicles has been well accepted and the total number of natural gas vehicles operating worldwide was approximately 23 million by November 2016. Hydrogen vehicles would be more acceptable for the general public if their safety is comparable to that of commercialized CNG vehicles. A comparison study is conducted to reveal the differences of hazard distances and accident durations between hydrogen vehicles and CNG vehicles during a representative accident in an open environment. The tank blowdown time for hydrogen and CNG are calculated separately to compare the accident durations. CFD simulations for real world situations are performed to study the hazard distances from impinging jet fires under vehicle. Results show that the release duration for CNG vehicle is over two times longer than that for hydrogen vehicle indicating that CNG vehicle jet fire accident is more timeconsuming and firefighters have to wait a longer time before they can safely approach the vehicle. For both hydrogen vehicle and CNG vehicle the longest hazard distance near the ground occur about 1 to 4 seconds after the initiation of the thermally-activated pressure relief devices. Afterwards the flames will shrink and the hazard distances will decrease. For firefighters with bunker gear they must stand 6 m and 14 m away from the hydrogen vehicle and CNG vehicle respectively. For general public a perimeter of 12 m and 29 m should be set around the accident scene for hydrogen vehicle and CNG vehicle respectively.

Building a network of hydrogen refuelling stations is essential to develop the hydrogen economy within transport. Additional hydrogen is regarded a likely key component to store and convert back excess electrical power to secure future energy supply and to improve the quality of biomass-based fuels. Therefore future hydrogen supply and distribution chains will have to address several objectives. Such a complexity is a challenge for risk assessment and risk management of these chains because of the increasing interactions. Improved methods are needed to assess the supply chain as a whole. The method of “Functional modelling” is discussed in this paper. It will be shown how it could be a basis for other decision support methods for comprehensive risk and sustainability assessments.