On the CFD modelling of hydrogen dispersion at low-Reynolds number release in closed facility

Hydrogen release inside closed facilities could cause explosions with harmful consequences. Safety assessment should be performed, in order to design prevention and mitigation measures in case of such an accident. A numerical study for helium (as hydrogen surrogate) accumulation inside a closed facility representative of a real-scale garage at low release rate is conducted. Due to the nature of the examined flow several turbulence modelling approaches (RANS and LES type) and the laminar approach are examined with the aim to evaluate their predictive capabilities in flows resulting from low-Reynolds number leaks. Best practice guidelines are followed in the simulations, several sensitivity studies are performed and different grid types are examined. The comparison of computational results with experimental data shows that RANS and LES approaches reproduce well the gas distribution inside the facility, while laminar approach predicts more enhanced stratification at the release phase. Statistical Performance Measures are used to evaluate the models and narrower acceptable ranges are suggested for releases in indoor configurations compared to open environments.     

CFD modelling of accidental hydrogen release from pipelines

Although nowadays hydrogen is distributed mainly by trailers, in the future distribution by means of pipelines will be more suitable if larger amounts of hydrogen are produced on industrial scale. Therefore from the safety point of view it is essential to compare hydrogen pipelines to natural gas pipelines, whose use is well established today. Within the paper we compare safety implications in accidental situations. In the analysis we do not consider technological aspects such as compressors or seals.     

An inter-comparison exercise on CFD model capabilities to simulate hydrogen deflagrations in a tunnel

In the frame of the European Commission co-funded Network of Excellence HySafe (Hydrogen Safety as an Energy Carrier, www.hysafe.org), five organizations with significant experience in explosion modelling have performed numerical simulations of explosions of stoichiometric hydrogen–air mixtures in a 78.5 m long tunnel. The five organizations are the Karlsruhe Research Centre, GexCon AS, the Joint Research Centre, the Kurchatov Institute Research Centre and the University of Ulster. Five CFD (Computational Fluid Dynamics) codes with different turbulence and combustion models have been used in this Standard Benchmark Exercise Problem (SBEP). Since tunnels are semi-confined environments, hydrogen explosions in tunnels can potentially be critical accident scenarios from the point of view of the accident consequences and CFD methods are increasingly employed to assess explosions hazards in tunnels. The objective of the validation exercise is to assess the accuracy of the theoretical and numerical models by comparisons of the simulation results with the experimental data. A very good agreement between experiments and simulations was found in terms of maximum overpressures.     

Numerical analysis of accidental hydrogen release in a laboratory

In a hydrogen laboratory hydrogen may accidentally leak from the high pressure systems and it may form a flammable mixture after mixing with air. CFD (Computational Fluid Dynamics) simulations of accidental hydrogen releases in a laboratory are performed in order to estimate the size and the resident time of the flammable cloud inside the laboratory. Moreover the effectiveness of the hydrogen sensor positions in detecting the presence of the hydrogen in the laboratory within few seconds has also been investigated. In a first scenario, the hydrogen coming from the storage is pumped by a compressor into the laboratory pipelines at constant pressure. To be conservative, it is assumed that the pressure can be maintained when the leak in the pipeline occurs. In a second scenario, the hydrogen flows directly from the storage into the laboratory pipeline without the compressor, and the pressure in this case is decreasing with time. In both cases, shut-off valves have been neglected in order to consider a worst case scenario. The simulation results from the two accident scenarios are compared, showing that the configuration with the compressor will potentially produce larger amounts of flammable mixture in the laboratory.     

CFD modeling of hydrogen dispersion under cryogenic release conditions

The use of hydrogen as a fuel should always be accompanied by a safety assessment concerning the case of an accidental release. To evaluate the potential hazards in a spill accident both experiments and simulations are performed. In the present work, the CFD code, ADREA-HF, is used to simulate the liquefied hydrogen (LH2) spill experiments (test 5, 6, 7) conducted by the Health Safety Laboratory (HSL). Two horizontal releases, the one along the ground and the other one at a distance above the ground, and one vertical release are examined with spill rate 60 lt/min. The main focus of this study is on the presence of humidity in the atmosphere and its effect on the vapor dispersion. When humidity is present is cooled, condenses and freezes due to the low prevailing temperature (∼20 K near the release), and releases heat. In addition, during the release hydrogen droplets are formed due to mechanical and flashing break up, and water droplets and ice crystals due to humidity phase change. Therefore, two models are tested: the hydrodynamic equilibrium model, which assumes that the phases are in thermodynamic and kinematic equilibrium and the non hydrodynamic equilibrium model (slip model), which assumed that the phases are in thermodynamic equilibrium but they can obtain different velocities. The fluctuating wind direction was also taken into account, since it greatly affects the hydrogen dispersion. The computational results are compared with the experimental measurements, and it is concluded that humidity along with the slip effect influences the buoyancy of the cloud to a great extent. The best simulation case (humidity and slip effect) is consistent with the experiment for all three tests for the majority of the sensors.     

CFD modeling of hydrogen deflagration in a tunnel

In this paper CFD modeling techniques are used to simulate deflagration in homogenous, near stoichiometric hydrogen–air mixture in a model of a tunnel. The tunnel is 78.5 m long. Hydrogen–air mixture is located in a 10 m long region in the middle of the tunnel. Two cases are studied: one with a complete empty tunnel and one with the presence of four vehicles near the center of the tunnel. The combustion model is based on the turbulent flame speed concept. The turbulent flame speed is a modification of Yakhot's equation, in order to account for additional physical mechanisms. A sensitivity analysis for the ψ parameter of the combustion model and for the mesh resolution was made. The agreement between experimental and computational results concerning the value of the maximum pressure, and the time it appears, was satisfactory in both empty and non-empty tunnel case. The sensitivity analysis for the parameter of the combustion model showed that even small changes in it can have impact on the simulating results, whereas the sensitivity analysis of the mesh resolution did not reveal any significant differences. Finally, the effect of the turbulence model is examined (LES and RANS type of model). The only significant difference in the results between LES and RANS model was the arrival time of the pressure peak. A delay in the arrival time in the case of the RANS model was observed.     

Effect of wind condition on unintended hydrogen release in a hydrogen refueling station

Ambient condition, especially the wind condition, is an important factor to determine the behavior of hydrogen diffusion during hydrogen release. However, only few studies aim at the quantitative study of the hydrogen diffusion in a wind-exist condition. And very little researches aiming at the variable wind condition have been done. In this paper, the hydrogen diffusion in different wind condition which including the constant wind velocity and the variable wind velocity is investigated numerically. When considering the variable wind velocity, the UDF (user defined function) is compiled. Characteristics of the FGC (flammable gas cloud) and the HMF (hydrogen mass fraction) are analyzed in different wind condition and comparisons are made with the no-wind condition. Results indicate that the constant wind velocity and the variable wind velocity have totally different effect for the determination of hydrogen diffusion. Comparisons between the constant wind velocity and the variable wind velocity indicate that the variable wind velocity may cause a more dangerous situation since there has a larger FGC volume. More importantly, the wind condition has a non-negligible effect when considering the HMF along the radial direction. As the wind velocity increases, the distribution of the HMF along the radial direction is not Gaussian anymore when the distance between the release hole and the observation line exceeds to a critical value. This work can be a supplement of the research on the hydrogen release and diffusion and a valuable reference for the researchers.     

Thermodynamic modeling of hydrogen refueling for heavy-duty fuel cell buses and comparison with aggregated real data

The foreseen uptake of hydrogen mobility is a fundamental step towards the decarbonization of the transport sector. Under such premises, both refueling infrastructure and vehicles should be deployed together with improved refueling protocols. Several studies focus on refueling the light-duty vehicles with 10 kg_H2 up to 700 bar, however less known effort is reported for refueling heavy-duty vehicles with 30–40 kg_H2 at 350 bar. The present study illustrates the application of a lumped model to a fuel cell bus tank-to-tank refueling event, tailored upon the real data acquired in the 3Emotion Project. The evolution of the main refueling quantities, such as pressure, temperature, and mass flow, are predicted dynamically throughout the refueling process, as a function of the operating parameters, within the safety limits imposed by SAE J2601/2 technical standard. The results show to refuel the vehicle tank from half to full capacity with an Average Pressure Ramp Rate (APRR) equal to 0.03 MPa/s are needed about 10 min. Furthermore, it is found that the effect of varying the initial vehicle tank pressure is more significant than changing the ambient temperature on the refueling performances. In conclusion, the analysis of the effect of different APRR, from 0.03 to 0.1 MPa/s, indicate that is possible to safely reduce the duration of half-to-full refueling by 62% increasing the APRR value from 0.03 to 0.08 MPa/s.     

Estimation of consequence and damage caused by an organic hydride hydrogen refueling station

Organic hydride hydrogen refueling stations are currently being developed in Japan. For these stations, we estimate the consequence and damage caused by explosions and heat radiation after a hydrogen leak, and the acute toxicity caused by the leakage and dispersion of methylcyclohexane and toluene energy carriers. First, the organic hydride hydrogen refueling station is defined, and an accident scenario for four leak sizes of hydrogen and chemical leak accidents is set. Next, simulations of the blast wave pressure and heat radiation after the hydrogen leak and of atmospheric dispersion for the evaporation after liquid methylcyclohexane and toluene leaks are performed. Probit functions or threshold values are created for each type of effects caused by the explosion, heat and the inhalation effect on humans of toluene acute toxicity. Population data for the area surrounding the station are created in a 10-m mesh. The consequence and damage are estimated for each leak size. The results show that although the explosion and chemical leak affects the area around the refueling station, the effects are small in all of the accident scenarios. In contrast, although the area of the heat effect is limited to inside the refueling station, the burn damage is large, and there is a need for conducting quantitative risk assessment.     

CFD evaluation against a large scale unconfined hydrogen deflagration

In the present work, CFD simulations of a large scale open deflagration experiment are performed. Stoichiometric hydrogen–air mixture occupies a 20 m hemisphere. Two combustion models are compared and evaluated against the experiment: the Eddy Dissipation Concept model and a multi-physics combustion model which calculates turbulent burning velocity based on Yakhot's equation. Sensitivity analysis on the value of fractal dimension of the latter model is performed. A semi-empirical relation which estimates the fractal dimension is also tested. The effect of the turbulence model on the results is examined. LES approach and k-ε models are used. The multi-physics combustion model with constant fractal dimension value equal to 2.3, using the RNG LES turbulence model achieves the best agreement with the experiment.     

The ADREA-HF CFD code for consequence assessment of hydrogen applications

Application of the CFD methodology for risk assessment of hydrogen applications and associated support of regulation, codes and standards has been growing its momentum during the last years. The CFD tools applied should prove to be “adequately” validated for hydrogen applications. This contribution focuses on the hydrogen related validation work performed with the CFD code ADREA-HF. The code is a three dimensional transient fully compressible flow and dispersion CFD solver, able to treat highly complex geometries using the porosity formulation on Cartesian grids. The ADREA-HF validation effort was performed within various EC co-funded projects (EIHP, EIHP-2, HyApproval, HyPer, HySafe). Various types of hydrogen release scenarios were considered, including gaseous and liquefied releases, open, semi-confined and confined environments, sonic (under-expanded) and low momentum releases. In parallel to its validation the ADREA-HF code has been extensively used for regulations, codes and standards support.     

Experimental investigation of hydrogen release and ignition from fuel cell powered forklifts in enclosed spaces

Due to rapid growth in the use of hydrogen powered fuel cell forklifts within warehouse enclosures, Sandia National Laboratories has worked to develop scientific methods that support the creation of new hydrogen safety codes and standards for indoor refueling operations. Based on industry stakeholder input, conducted experiments were devised to assess the utility of modeling approaches used to analyze potential consequences from ignited hydrogen leaks in facilities certified according to existing code language. Release dispersion and combustion characteristics were measured within a scaled test facility located at SRI International's Corral Hollow Test Site. Moreover, the impact of mitigation measures such as active/passive ventilation and pressure relief panels was investigated. Since it is impractical to experimentally evaluate all possible facility configurations and accident scenarios, careful characterization of the experimental boundary conditions has been performed so that collected datasets can be used to validate computational modeling approaches.     

A study of hydrogen leak and explosion in different regions of a hydrogen refueling station

The consequences of hydrogen leaks and explosions are predicted for the sake of the safety in hydrogen refueling stations. In this paper, the effect of wind speed on hydrogen leak and diffusion is analyzed in different regions of a hydrogen refueling station, and the influence of delayed ignition time on hydrogen explosion after an accidental hydrogen leak is further studied by numerical simulation. Results show that the effect of wind speed on the probability of hydrogen fires is distinctive in different regions of hydrogen refueling station. The size of combustible clouds in the trailer front region and the outer region increases in the low wind speed case, and the front of combustible clouds is formed in a spherical shape in the outer region, which can greatly increase the probability of hydrogen explosion. However, the high wind speed may cause an increase of the risk of accidents in the near ground region. Moreover, a non-linear correlation is shown between the rate of combustible cloud dissipation and wind speed after the hydrogen stops leaking. In addition, it is found that an increase in delayed ignition time may lead to an increase in explosion intensity, which is related with the larger high temperature area and stronger explosion overpressure. Two flame fronts and the reverse propagation of the explosion overpressure can be observed, when the delayed ignition time is larger.     

CFD analysis of fast filling scenarios for 70 MPa hydrogen type IV tanks

High injection pressure is combined with high refueling rate for vehicles storing pressurized gaseous hydrogen onboard. As a drawback, high temperatures are developed inside the tank, which can jeopardize the structural integrity of the storage system. Computational Fluid Dynamics (CFD) codes already proved to be a valuable tool for predicting the temperature distribution within the tank during fast refueling. Results of hydrogen fast filling CFD simulations for a type IV tank, filled to 70 MPa at different working conditions are presented as follow up of the CFD model validation performed against experimental data. Alternative rates of pressure rise, adiabatic and cold filling are investigated to evaluate the effect on maximum hydrogen temperatures inside the tank. Results confirmed that the developed CFD model could be a suitable tool for investigating fast filling scenarios when experimental data are not yet available or of difficult realization.     

A CFD simulation of hydrogen dispersion for the hydrogen leakage from a fuel cell vehicle in an underground parking garage

In the present study, the dispersion process of hydrogen leaking from an FCV (Fuel Cell Vehicle) in an underground parking garage is analyzed with numerical simulations in order to assess hazards and associated risks of a leakage accident. The temporal and spatial evolution of the hydrogen concentration as well as the flammable region in the parking garage was predicted numerically. The volume of the flammable region shows a non-linear growth in time with a latency period. The effects of the leakage flow rate and an additional ventilation fan were investigated to evaluate the ventilation performance to relieve accumulation of the hydrogen gas. It is found that expansion of the flammable region is delayed by the fan via enhanced mixing near the boundary of the flammable region. The present numerical results can be useful to analyze safety issues in automotive applications of hydrogen.     

CFD modeling of hydrogen separation through Pd-based membrane

Hydrogen separation through palladium-based membranes is one of the most promising technologies to produce H₂ gas. The main purpose of this work is to comprehensively study the impact of different parameters on hydrogen diffusion flux (J_H2) through a Pd–Ag membrane. The effect of implementing sweep gas on J_H2 is investigated along with two methods of applying pressure difference, namely pressurized method, and vacuum method. Also, the effect of species mole fraction for three binary mixtures (H₂/N₂, H₂/CO_2, and H₂/CO) is examined. A CFD model is developed and used to perform the study. Experimental data from the literature are used to validate the CFD model, and the results showed good agreement with the experimental data. The results revealed that implementing sweep-gas could significantly improve the hydrogen diffusion flux (by 25%) at the law-pressure difference. Moreover, it turns out that the vacuum method is more effective than the pressurized method, where it results in J_H2 greater than the pressurized method by 15–36%. Furthermore, the CFD results showed that more hydrogen gas can be extracted from a binary mixture of H₂/N₂ (0.93 mol/m².s) than of CO (0.90 mol/m².s) and H₂/CO₂ (0.81 mol/m².s).     

CFD modeling of large-scale LH2 spills in open environment

In earlier work the three-dimensional time dependent fully compressible CFD code ADREA-HF was applied against large-scale LH2 release experiments in the vicinity of buildings. In the present contribution the ADREA-HF code is applied to simulate large-scale LH2 spill tests in open, unobstructed environment. A series of simulations were performed to investigate on the effects of the source model (jet or pool), the modeling of the earthen sides of the pond around the source and the inclusion of a contact ground heat transfer. The predicted hydrogen concentrations (by vol.) are compared against the experimental at the available sensor locations. In addition the predicted structure of the concentration field is compared against the experimental, which was originally derived from temperature measurements. Modeling the source as a two-phase jet pointing downwards, including the modeling of the earthen sides of the pond as a fence and the contact heat transfer to the ground gave the best agreement with respect to experimental behavior.     

Vented explosion overpressures from combustion of hydrogen and hydrocarbon mixtures

Experimental data obtained for hydrogen mixtures in a room-size enclosure are presented and compared with data for propane and methane mixtures. This set of data was also used to develop a three-dimensional gasdynamic model for the simulation of gaseous combustion in vented enclosures. The experiments were performed in a 64 m³ chamber with dimensions of 4.6 × 4.6 × 3.0 m and a vent opening on one side and vent areas of either 2.7 or 5.4 m² were used. Tests were performed for three ignition locations, at the wall opposite the vent, at the center of the chamber or at the center of the wall containing the vent. Hydrogen-air mixtures with concentrations close 18% vol. were compared with stoichiometric propane-air and methane-air mixtures. Pressure data, as function of time, and flame time-of-arrival data were obtained both inside and outside the chamber near the vent. Modeling was based on a Large Eddy Simulation (LES) solver created using the OpenFOAM CFD toolbox using sub-grid turbulence and flame wrinkling models. A comparison of these simulations with experimental data is discussed.     

Quantitative risk assessment of a hydrogen refueling station by using a dynamic physical model based on multi-physics system-level modeling

Numerous accidents in HRSs have been reported worldwide in accident databases; therefore, many researchers have performed quantitative risk assessments (QRAs) of HRSs to enable risk-informed decision making in determining the safety distances or risk mitigation measures. The HRSs, located in urban areas such as Tokyo in Japan, are situated in congested areas with tall buildings and high population density; thus, they have relatively narrow station areas. However, the QRAs are generally suitable for large plants such as nuclear power plants or chemical plants; therefore, relatively small plants or installations, such as HRSs, have not yet been considered as QRA objects. Hence, it is necessary to conduct detailed QRAs with risk analyses and reduce the applied uncertainties for relatively small plants or installations. We applied a model-based approach of risk assessment to model the HRS process using multi-physics system-level modeling and simulated a target system using Modelica—an equation-based, object-oriented modeling language that allows acausal modeling of complex cyber-physical systems The primary aim of this study was to conduct a QRA of an HRS based on multi-physics system-level modeling. First, we modeled the HRS components and physical relationships between the components using basic physical equations. Then, we elucidate a QRA based on the constructed model. The difference in the leakage rates due to the leak positions and dynamic behavior of the model parameters were calculated using the constructed model. Finally, we estimated the individual risks of all the scenarios and compared the resulting risk contours based on the constructed model that includes the hydrogen-fuel dynamic behavior with those based on the traditional model. These results indicate that it is possible to assess whether the risks around the station boundary are acceptable based on the scenario information obtained by evaluating the risks near the station.     

Development of large scale unified system for hydrogen energy carrier production and utilization: Experimental analysis and systems modeling

The world's largest class hydrogen energy carrier production, storage, and utilization system has been operated in order to obtain basic data for practical use of the system using renewable energy. In this system, an alkaline water electrolyzer is combined with hydrogenation reactors to produce methylcyclohexane (MCH). Since electrolyzer behavior directly affects hydrogenation reaction, behaviors of the 150 kW class water electrolyzer against fluctuating electricity inputs were experimentally investigated. The cell stack voltage and hydrogen flow rate changed following temporal changes of the input current, whereas the temperature response was slow due to the large heat capacity of the system. Hydrogenation reactors performance using the hydrogen from the electrolyzer are reported. Then, based on the experiment data, a numerical simulation model for the electrolyzer was developed, which predicts the experimental result using fluctuating electricity very well. Furthermore, using the simulator, the heat utilization from the hydrogenation reaction for the electrolyzer warm-up process was investigated.