Canada
Shock Initiated Ignition for Hydrogen Mixtures of Different Concentrations
Sep 2011
Publication
The scenario of ignition of fuels by the passage of shock waves is relevant from the perspective of safety primarily because shock ignition potentially plays an important role in deflagration to detonation transition. Even in one dimension simulation of ignition between a contact surface or a flame and a shock moving into combustible mixture is difficult because of the singular nature of the initial conditions. Indeed initially as the shock starts moving away from the contact surface the region filled with shocked reactive mixture does not exist. In the current work the formulation is transformed using time and length over time as the independent variables. This transformation yields a finite domain from t = 0. In this paper the complete spatial and temporal ignition evolution of hydrogen combustible mixtures of different concentrations is studied numerically. Integration of the governing equations is performed using an Essentially Non-Oscillatory (ENO) algorithm in space and Runge-Kutta in time while the chemistry is modeled by a three-step chain-branching mechanism which appropriately mimics hydrogen combustion.
Hydrogen Fueling Standardization: Enabling ZEVs with "Same as Today" Fueling and FCEV Range and Safety
Oct 2015
Publication
Zero Emission Vehicles (ZEVs) are necessary to help reduce the emissions in the transportation sector which is responsible for 40% of overall greenhouse gas emissions. There are two types of ZEVs Battery Electric Vehicles (BEVs) and Fuel Cell Electric Vehicles (FCEVs) Commercial Success of BEVs has been challenging thus far also due to limited range and very long charging duration. FCEVs using H2 infrastructure with SAE J2601 and J2799 standards can be consistently fuelled in a safe manner fast and resulting in a range similar to conventional vehicles. Specifically fuelling with SAE J2601 with the SAE J2799 enables FCEVs to fill with hydrogen in 3-5 minutes and to achieve a high State of Charge (SOC) resulting in 300+ mile range without exceeding the safety storage limits. Standardized H2 therefore gives an advantage to the customer over electric charging. SAE created this H2 fuelling protocol based on modelling laboratory and field tests. These SAE standards enable the first generation of commercial FCEVs and H2 stations to achieve a customer acceptable fueling similar to today's experience. This report details the advantages of hydrogen and the validation of H2 fuelling for the SAE standards.
Validation Testing In Support Of Hydrogen Codes and Standards Developments
Sep 2011
Publication
New codes and standards are being developed to facilitate the safe deployment of emerging hydrogen technologies. Hydrogen markets will benefit from standards that address the specific properties of hydrogen hydrogen effects on strength of materials and hydrogen compressed gas storage at pressures up to 70 MPa. The need for validation of new hydrogen requirements has been identified by codes and standards technical committees. The US Department of Energy (DOE) office of Energy Efficiency and Renewable Energy (EERE) has tasked the National Renewable Energy Laboratory (NREL) with the role of supporting hydrogen codes and standards research and development needs. NREL has provided validation test support to several new standards development efforts including pressure testing of 70 MPa on board vehicle storage systems flaw testing of stationary hydrogen tanks fill protocols for hydrogen fuel dispensing and hydrogen compatibility testing for hydrogen pressure relief devices (HPRD’s). Validation test results are presented for these four specific standards development needs.
Measurements of Flow Velocity and Scalar Concentration in Turbulent Multi-component Jets
Sep 2017
Publication
Buoyancy effects and nozzle geometry can have a significant impact on turbulent jet dispersion. This work was motivated by applications involving hydrogen. Using helium as an experimental proxy buoyant horizontal jets issuing from a round orifice on the side wall of a circular tube were analyzed experimentally using particle image velocimetry (PIV) and planar laser-induced fluorescence (PLIF) techniques simultaneously to provide instantaneous and time-averaged flow fields of velocity and concentration. Effects of buoyancy and asymmetry on the resulting flow structure were studied over a range of Reynolds numbers and gas densities. Significant differences were found between the centreline trajectory spreading rate and velocity decay of conventional horizontal round axisymmetric jets issuing through flat plates and the pipeline leak-representative jets considered in the present study. The realistic pipeline jets were always asymmetric and found to deflect about the jet axis in the near field. In the far field it was found that the realistic pipeline leak geometry causes buoyancy effects to dominate much sooner than expected compared to horizontal round jets issuing through flat plates.
Sizing and Operation of a Pure Renewable Energy Based Electric System through Hydrogen
Nov 2021
Publication
Today in order to reduce the increase of the carbon dioxide emissions a large number of renewable energy resources (RES) are already implemented. Considering both the intermittency and uncertainty of the RES the energy storage system (ESS) is still needed for balancing and stabilizing the power system. Among different existing categories of ESS the hydrogen storage systems (HSS) have the highest energy density and are crucial for the RES integration. In addition RES are located in faraway regions and are often transmitted to the terminal consumption center through HVDC (high voltage direct current) due to its lower power loss. In this paper we present a power supply system that achieves low-carbon emissions through combined HSS and HVDC technology. First the combined HSS and the HVDC model are established. Secondly the rule-based strategy for operating the HSS microgrid is presented. Then an operating strategy for a typical network i.e. the pure RES generation station-HVDC transmission-microgrids is demonstrated. Finally the best sizing capacities for all components are found by the genetic algorithm. The results prove the efficiency of the presented sizing approach for a pure RES electric system.
Estimation of Filling Time for Compressed Hydrogen Refueling
Mar 2019
Publication
In order to facilitate the application of hydrogen energy and ensure its safety the compressed hydrogen storage tank on board needs to be full of hydrogen gas within 3 minutes. Therefore to meet this requirement the effects of refueling parameters on the filling time need to be investigated urgently. For the purpose of solving this issue a novel analytical solution of filling time is obtained from a lumped parameter model in this paper. According to the equation of state for real gas and dimensionless numbers Nu and Re the function relationships between the filling time and the refueling parameters are presented. These parameters include initial temperature initial pressure inflow temperature final temperature and final pressure. These equations are used to fit the reference data the results of fitting show good agreement. Then the values of fitting parameters are further utilized so as to verify the validity of these formulas. We believe this study can contribute to control the hydrogen filling time and ensure the safety during fast filling process.
The Crucial Role of the Lewis Number in Jet Ignition
Sep 2011
Publication
During the early phase of the transient process following a hydrogen leak into the atmosphere a contact surface appears separating hot air from cold hydrogen. Locally the interface is approximately planar. Diffusion occurs potentially leading to ignition. This process was analyzed by Lin˜a´n and Crespo (1976) for Lewis number unity and Lin˜a´n and Williams (1993) for Lewis number less than unity. In addition to conduction these processes are affected by expansion due to the flow which leads to a temperature drop. If chemistry is very temperature-sensitive then the reaction rate peaks close to the hot region where relatively little fuel is present. Indeed the Arrhenius rate drops rapidly as temperature drops much more so than fuel concentration. However the small fuel concentration present close to the airrich side depends crucially upon the balance between fuel diffusion and heat diffusion hence the fuel Lewis number. For Lewis number unity the fuel concentration present due to diffusion is comparable to the rate of consumption due to chemistry. If the Lewis number is less than unity fuel concentration brought in by diffusion is large compared with temperature-controlled chemistry. For a Lewis number greater than unity diffusion is not strong enough to bring in as much fuel as chemistry would be able to burn and combustion is controlled by fuel diffusion. In the former case combustion occurs faster leading to a localized ignition at a finite time determined by the analysis. As long as the temperature drop due to the expansion associated with the multidimensional nature of the jet does not lower significantly the reaction rate up to that point ignition in the jet takes place. For fuel Lewis number greater than unity first the reaction rate is much lower. Second chemistry does not lead to a defined ignition. Eventually expansion will affect the process and ignition does not take place. In summary it appears that the reason why hydrogen is the only fuel for which jet ignition has been observed is a Lewis number effect coupled with a high speed of sound hence a high initial temperature discontinuity.
A Dual Zone Thermodynamic Model for Refueling Hydrogen Vehicles
Sep 2017
Publication
With the simple structure and quick refuelling process the compressed hydrogen storage system is currently widely used. However thermal effects during charging-discharging cycle may induce temperature change in storage tank which has significant impact on the performance of hydrogen storage and the safety of hydrogen storage tank. To address this issue we once propose a single zone lumped parameter model to obtain the analytical solution of hydrogen temperature and use the analytical solution to estimate the hydrogen temperature but the effect of the tank wall is ignored. For better description of the heat transfer characteristics of the tank wall a dual zone (hydrogen gas and tank wall) lumped parameter model will be considered for widely representation of the reference (experimental or simulated) data. Now we extend the single zone model to the dual zone model which uses two different temperatures for gas zone and wall zone. The dual zone model contains two coupled differential equations. To solve them and obtain the solution we use the method of decoupling the coupled differential equations and coupling the solutions of the decoupled differential equations. The steps of the method include: (1) Decoupling of coupled differential equations; (2) Solving decoupled differential equations; (3) Coupling of solutions of differential equations; (4) Solving coupled algebraic equations. Herein three cases are taken into consideration: constant inflow/outflow temperature variable inflow/outflow temperature and constant inflow temperature and variable outflow temperature. The corresponding approximate analytical solutions of hydrogen temperature and wall temperature can be obtained. The hydrogen pressure can be calculated from the hydrogen temperature and the hydrogen mass using the equation of state for ideal gas. Besides the two coupled differential equations can also be solved numerically and the simulated solution can also be obtained. This study will help to set up a formula based approach of refuelling protocol for gaseous hydrogen vehicles.
Determination of Clearance Distances for Venting of Hydrogen Storage
Sep 2005
Publication
This paper discusses the results of computational fluid dynamics (CFD) modelling of hydrogen releases and dispersion outdoors during venting of hydrogen storage in real environment and geometry of a hydrogen refuelling or energy station for a given flow rate and dimensions of vent stack. The PHOENICS CFD software package was used to solve the continuity momentum and concentration equations with the appropriate boundary conditions buoyancy model and turbulence models. Also thermal effects resulting from potential ignition of flammable hydrogen clouds were assessed using TNO “Yellow Book” recommended approaches. The obtained results were then applied to determine appropriate clearance distances for venting of hydrogen storage for contribution to code development and station design considerations. CFD modelling of hydrogen concentrations and TNO-based modelling of thermal effects have proven to be reliable effective and relatively inexpensive tools to evaluate the effects of hydrogen releases.
Vertical Turbulent Buoyant Helium Jet - CFD Modelling and Validation
Sep 2005
Publication
In this paper a vertical turbulent round jet of helium was studied numerically using the PHOENICS software package. The flow was assumed to be steady incompressible and turbulent. The jet discharge Froude number was 14000 and the turbulent Schmidt number was 0.7. The incompressible Reynolds average Navier-Stokes equations and helium transport equation expressed in 2-D axisymmetric domain were applied to model the underlying helium release. The k-e RNG turbulence model was used for the calculations of the corresponding turbulent viscosity diffusivity velocity and concentration fields in the domain. The simulation results are compared with the experimental measurements from the earlier published studies on helium jets in non-buoyant jet region (NBJ) intermediate region (I) and buoyant plume region (BP). The numerical results show that the radial profiles of mean velocity and mean concentration are consistent with the empirical data scaled by the effective diameter and density-ratio dependence. The mean velocity and concentration fields along the axis of the jet agree with the decay laws correlated from the previous experiments. The discrepancy between the numerical and experimental data is within 10% proving that the current CFD model for gas release and dispersion is robust accurate and reliable and that the CFD technique can be used as an alternative to the experiments with similar helium jets. The authors believe that the current CFD model is well validated through this study and can be further extended to predict similar hydrogen releases and dispersion if the model is properly applied with hydrogen properties.
Development of Uniform Harm Criteria for Use in Quantitative Risk Analysis of the Hydrogen Infrastructure
Sep 2009
Publication
This paper discusses the preliminary results of the Risk Management subtask efforts within the International Energy Agency (IEA) Hydrogen Implementing Agreement (HIA) Task 19 on Hydrogen Safety to develop uniform harm criteria for use in the Quantitative Risk Assessments (QRAs) of hydrogen facilities. The IEA HIA Task 19 efforts are focused on developing guidelines and criteria for performing QRAs of hydrogen facilities. The performance of QRAs requires that the level of harm that is represented in the risk evaluation be established using deterministic models. The level of harm is a function of the type and level of hazard. The principle hazard associated with hydrogen facilities is uncontrolled accumulation of hydrogen in (semi) confined spaces and consecutive ignition. Another significant hazard is combustion of accidentally released hydrogen gas or liquid which may or may not happen instantaneously. The primary consequences from fire hazards consist of personnel injuries or fatalities or facility and equipment damage due to high air temperatures radiant heat fluxes or direct contact with hydrogen flames. The possible consequences of explosions on humans and structures or equipment include blast wave overpressure effects impact from fragments generated by the explosion the collapse of buildings and the heat effects from subsequent fire balls. A harm criterion is used to translate the consequences of an accident evaluated from deterministic models to a probability of harm to people structures or components. Different methods can be used to establish harm criteria including the use of threshold consequence levels and continuous functions that relate the level of a hazard to a probability of damage. This paper presents a survey of harm criteria that can be utilized in QRAs and makes recommendations on the criteria that should be utilized for hydrogen-related hazards.
Numerical Investigation of Hydrogen Release from Varying Diameter Exit
Sep 2011
Publication
Computational fluid dynamics is used to simulate the release of high pressure Hydrogen from a reservoir with an exit of increasing diameter. Abel-Noble real gas equation of state is used to accurately simulate this high pressure release. Parallel processing based on Message Passing Interface for domain decomposition is employed to decrease the solution time. The release exit boundary is increased in time to simulate a scenario when the exit area increases during the release. All nodes and elements are moved accordingly at each time step to maintain the quality of the mesh. Different speeds of increasing diameter are investigated to see the impact on this unsteady flow.
Synthesis and Performance of Photocatalysts for Photocatalytic Hydrogen Production: Future Perspectives
Dec 2021
Publication
Photocatalysis for “green” hydrogen production is a technology of increasing importance that has been studied using both TiO2–based and heterojunction composite-based semiconductors. Different irradiation sources and reactor units can be considered for the enhancement of photocatalysis. Current approaches also consider the use of electron/hole scavengers organic species such as ethanol that are “available” in agricultural waste in communities around the world. Alternatively organic pollutants present in wastewaters can be used as organic scavengers reducing health and environmental concerns for plants animals and humans. Thus photocatalysis may help reduce the carbon footprint of energy production by generating H2 a friendly energy carrier and by minimizing water contamination. This review discusses the most up-to-date and important information on photocatalysis for hydrogen production providing a critical evaluation of: (1) The synthesis and characterization of semiconductor materials; (2) The design of photocatalytic reactors; (3) The reaction engineering of photocatalysis; (4) Photocatalysis energy efficiencies; and (5) The future opportunities for photocatalysis using artificial intelligence. Overall this review describes the state-of-the-art of TiO2–based and heterojunction composite-based semiconductors that produce H2 from aqueous systems demonstrating the viability of photocatalysis for “green” hydrogen production.
Numerical Investigation of a Vertical Surface on the Flammable Extent of Hydrogen and Methane Vertical Jets
Sep 2011
Publication
The effect of vertical surface on the extent of high pressure unignited jets of both hydrogen and methane is studied using computer fluid dynamics simulations performed with FLACS Hydrogen. Results for constant flow rate through a 6.35 mm round leak orifice from 100 barg 250 barg 400 barg 550 barg and 700 barg compressed gas systems are presented for vertical jets. To quantify the effect of the surface on the jet the jet exit is positioned at various distances from the surface ranging from 0.029 m to 12 m. Free jets simulations are performed for comparison purposes.
Numerical and Experimental Investigation of Buoyant Gas Release
Sep 2009
Publication
Buoyant round vertical jet had been investigated using Large Eddy Simulations at low Mach number. For the purpose of comparison with in-house experimental data in the present work helium has been used as a substitute for hydrogen. The influence of the transient concentration fields on the volume of gas with concentration within flammability limits has been investigated and their evolution and relation with average fields ad been characterized. Transient concentration fields created during initial jet development had been considered. Numerical results have been compared with in-house experiments and data published in the literature.
Numerical Investigation of Subsonic Hydrogen Jet Release
Sep 2011
Publication
A buoyant round vertical hydrogen jet is investigated using Large Eddy Simulations at low Mach number (M = 0.3). The influence of the transient concentration fields on the extent of the gas envelope with concentrations within the flammability limits is analyzed and their structure are characterized. The transient flammable region has a complex structure that extends up to 30% beyond the time-averaged flammable volume with high concentration pockets that persist sufficiently long for potential ignition. Safety envelopes devised on the basis of simplified time-averaged simulations would need to include a correction factor that accounts for transient incursions of high flammability concentrations.
State-of-the-Art and Research Priorities in Hydrogen Safety
Sep 2013
Publication
On October 16-17 2012 the International Association for Hydrogen Safety (HySafe) in cooperation with the Institute for Energy and Transport of the Joint Research Centre of the European Commission (JRC IET Petten) held a two-day workshop dedicated to Hydrogen Safety Research Priorities. The workshop was hosted by Federal Institute for Materials Research and Testing (BAM) in Berlin Germany. The main idea of the Workshop was to bring together stakeholders who can address the existing knowledge gaps in the area of the hydrogen safety including identification and prioritization of such gaps from the standpoint of scientific knowledge both experimental and theoretical including numerical. The experience highlighting these gaps which was obtained during both practical applications (industry) and risk assessment should serve as reference point for further analysis. The program included two sections: knowledge gaps as they are addressed by industry and knowledge gaps and state-of-the-art by research. In the current work the main results of the workshop are summarized and analysed.
Effects of Chemical Kinetics on Ignition of Hydrogen Jets
Sep 2013
Publication
During the early phase of the transient process following a hydrogen leak into the atmosphere a contact surface appears separating air heated by the leading shock from hydrogen cooled by expansion. Locally the interface is approximately planar. Diffusion leads to a temperature decrease on the air side and an increase in the hydrogen-filled region and mass diffusion of hydrogen into air and of air into hydrogen potentially resulting in ignition. This process was analyzed by Li ˜nan and Crespo [1] for unity Lewis number and Li ˜nan and Williams [2] for Lewis number less than unity. We included in the analysis the effect of a slow expansion [3 4] leading to a slow drop in temperature which occurs in transient jets. Chemistry being very temperature-sensitive the reaction rate peaks close to the hot side of the interface where only a small fuel concentration present close to the warm air-rich side which depends crucially upon the fuel Lewis number. For Lewis number unity the fuel concentration due to diffusion is comparable to the rate of consumption by chemistry. If the Lewis number is less than unity diffusion brings in more fuel than temperature-controlled chemistry consumes. For a Lewis number greater than unity diffusion is not strong enough to bring in as much fuel as chemistry would burn; combustion is controlled by fuel diffusion. If the temperature drop due to expansion associated with the multidimensional jet does not lower significantly the reaction rate up to that point analysis shows that ignition in the jet takes place. For fuel Lewis number greater than unity chemistry does not lead to a defined explosion so that eventually expansion will affect the process; ignition does not take place [3 4]. In the current paper these results are extended to consider multistep chemical kinetics but for otherwise similar assumptions. High activation energy is no longer applicable. Instead results are obtained in the short time limit still as a perturbation superimposed to the self-similar solution to the chemically frozen diffusion solution. In that approximation the initiation step which consumes fuel and oxidant is taken to be slow compared with steps that consume one of the reactants and an intermediate species. The formulation leads to a two point boundary value problem for set of coupled rate equations plus an energy equation for perturbations. These equations are linear with variable co-effcients. The coupled problem is solved numerically using a split algorithm in which chemical reaction is solved for frozen diffusion while diffusion is solved for frozen chemistry. At each time step the still coupled linear problem is solved exactly by projecting onto the eigenmodes of the stiff matrix so that the solution is unaffected by stiffness. Since in the short time limit temperature is only affected at the perturbation level the matrix depends only on the similarity variable x t but it is otherwise time-independent. As a result determination of the eigenvalues and eigenvectors is only done once (using Maple) for the entire range of discretized values of the similarity variable. The diffusion problem consists of a set of independent equations for each species. Each of these is solved using orthogonal decomposition onto Hermite polynomials for the homogeneous part plus a particular solution proportional to time for the non-homogeneous (source) terms. That approach can be implemented for different kinetic schemes.
Boundary Layer Effects on the Critical Nozzle of Hydrogen Sonic Jet
Oct 2015
Publication
When hydrogen flows through a small finite length constant exit area nozzle the viscous effects create a fluid throat which acts as a converging-diverging nozzle and lead to Mach number greater than one at the exit if the jet is under-expanded. This phenomenon influences the mass flow rate and the dispersion cloud size. In this study the boundary layer effect on the unsteady hydrogen sonic jet flow through a 1 mm diameter pipe from a high pressure reservoir (up to 70 MPa) is studied using computational fluid dynamics with a large eddy simulation turbulence model. This viscous flow simulation is compared with a non-viscous simulation to demonstrate that the velocity is supersonic at the exit of a small exit nozzle and that the mass flow is reduced.
Heat Transfer Analysis for Fast Filling of On-board Hydrogen Tank
Mar 2019
Publication
The heat transfer analysis in the filling process of compressed on-board hydrogen storage tank has been the focus of hydrogen storage research. The initial conditions mass flow rate and heat transfer coefficient have certain influence on the hydrogen filling performance. In this paper the effects of mass flow rate and heat transfer coefficient on hydrogen filling performance are mainly studied. A thermodynamic model of the compressed hydrogen storage tank was established by Matlab/Simulink. This 0D model is utilized to predict the hydrogen temperature hydrogen pressure tank wall temperature and SOC (State of Charge) during filling process. Comparing the simulated results with the experimental data the practicability of the model can be verified. The simulated results have certain meaning for improving the hydrogenation parameters in real filling process. And the model has a great significance to the study of hydrogen filling and purification.
Mesh-Independent Large-Eddy Simulation with Anisotropic Adaptive Mesh Refinement for Hydrogen Deflagration Prediction in Closed Vessels
Sep 2019
Publication
The use of high-fidelity simulation methods based on large-eddy simulation (LES) are proving useful for understanding and mitigating the safety hazards associated with hydrogen releases from nuclear power plants. However accurate modelling of turbulent premixed hydrogen flames via LES can require very high resolution to capture both the large-scale turbulence and its interaction with the flame fronts. Standard meshing strategies can result in impractically high computational costs especially for the thin fronts of hydrogen flames. For these reasons the use of a recently formulated integral length scale approximation (ILSA) subfilter-scale model in combination with an efficient anisotropic block-based adaptive mesh refinement (AMR) technique is proposed and examined herein for performing LES of turbulent premixed hydrogen flames. The anisotropic AMR method allows dynamic and solution-dependent resolution of flame fronts and the grid-independent properties of the ILSA model ensure that numerical errors associated with implicitly-filtered LES techniques in regions with varying resolution are avoided. The combined approach has the potential to allow formally converged LES solutions (direct numerical simulation results are typically reached in the limit of very fine meshes with standard subgrid models). The proposed LES methodology is applied to combustion simulations of lean premixed hydrogen-air mixtures within closed vessels: a problem relevant to hydrogen safety applications in nuclear facilities. A progress variable-based method with a multi-phenomena burning velocity model is used as the combustion model. The present simulation results are compared to the available experiment data for several previously studied THAI vessel cases and the capabilities of the proposed LES approach are assessed.
A Turbulent Combustion Model for Ignition of Rapidly Expanding Hydrogen Jets
Mar 2013
Publication
A turbulent combustion model based on the Linear Eddy Model for Large Eddy Simulation (LEM- LES) is currently proposed to study self-ignition events of rapidly expanding hydrogen jets. The model is a one-dimensional treatment of a diffusion-reaction system within each multi-dimensional LES cell. This reduces the expense of solving a complete multi-dimensional problem while preserving micro-scale hotspots and their effects on ignition. The current approach features a Lagrangian description of fluid particles on the sub-grid for increased accuracy. Also Adaptive Mesh Refinement (AMR) is implemented for increased computational efficiency. In this paper the model is validated for various inviscid laminar 1-D mixing and ignition problems shock tube problems flames and detonations.
CFD Based Simulation of Hydrogen Release Through Elliptical Orifices
Sep 2013
Publication
Computational Fluid Dynamics (CFD) is applied to investigate the near exit jet behavior of high pressure hydrogen release into quiescent ambient air through different types of orifices. The size and geometry of the release hole can affect the possibility of auto-ignition. Therefore the effect of release geometry on the behavior and development of hydrogen jet issuing from non-axisymmetric (elliptical) and expanding orifices is investigated and compared with their equivalent circular orifices. A three-dimensional in-house code is developed using the MPI library for parallel computing to simulate the flow based on an inviscid approximation. Convection dominates viscous effects in strongly underexpanded supersonic jets in the vicinity of release exit justifying the use of the Euler equations. The transport (advection) equation is applied to calculate the concentration of hydrogen-air mixture. The Abel-Nobel equation of state is used because high pressure hydrogen flow deviates from the ideal gas assumption. This work effort is conducted to fulfill two objectives. First two types of circular and elliptic orifices with the same cross sectional area are simulated and the flow behavior of each case is studied and compared during the initial stage of release. Second the comparative study between expanding circular exit and its fixed counterpart is carried out. This evaluation is conducted for different sizes of nozzle with different aspect ratios.
Safety and Risk Management in Nuclear-Based Hydrogen Production with Thermal Water Splitting
Sep 2013
Publication
The challenges and approaches of the safety and risk management for the hydrogen production with nuclear-based thermochemical water splitting have been far from sufficiently reported as the thermochemical technology is still at a fledgling stage and the linkage of a nuclear reactor with a hydrogen production plant is unprecedented. This paper focuses on the safety issues arising from the interactions between the nuclear heat source and thermochemical hydrogen production cycle as well between the proximate individual processes in the cycle. As steam is utilized in most thermochemical cycles for the water splitting reaction and heat must be transferred from the nuclear source to hydrogen production plant this paper particularly analyzes and quantifies the heat hazard for the scenarios of start-up and shutdown of the hydrogen production plant. Potential safety impacts on the nuclear reactor are discussed. It is concluded that one of the main challenges of safety and risk management is efficient rejection of heat in a shutdown accident. Several options for the measures to be taken are suggested. Copper-chlorine and sulphur-iodine thermochemical cycles are taken as two representative examples for the hazard analysis. It is expected that these newly reported challenges and approaches could help build the future safety and risk management codes and standards for the infrastructure of the thermochemical hydrogen production.
Hydrogen Deflagrations in Stratified Flat Layers in the Large-scale Vented Combustion Test Facility
Sep 2019
Publication
This paper examines the flame dynamics of vented deflagration in stratified hydrogen layers. It also compares the measured combustion pressure transients with 3D GOTHIC simulations to assess GOTHIC’s capability in simulating the associated phenomena. The experiments were performed in the Large-Scale Vented Combustion Test Facility at the Canadian Nuclear Laboratories. The stratified layer was formed by injecting hydrogen at a high elevation at a constant flow rate. The dominant parameters for vented deflagrations in stratified layers were investigated. The experimental results show that significant overpressures are generated in stratified hydrogen–air mixtures with local high concentration although the volume-averaged hydrogen concentration is non-flammable. The GOTHIC predictions capture the overall pressure dynamics of combustion very well but the peak overpressures are consistently over-predicted particularly with higher maximum hydrogen concentrations. The measured combustion overpressures are also compared with Molkov’s model prediction based on a layer-averaged hydrogen concentration.
Effects of Surface on the Flammable Extent of Hydrogen Jets
Sep 2009
Publication
The effect of surfaces on the extent of high pressure horizontal unignited jets of hydrogen and methane is studied using CFD numerical simulations performed with FLACS Hydrogen. Results for constant flow rate through a 6.35 mm PRD from 100 barg and 700 barg storage units are presented for horizontal hydrogen and methane jets. To quantify the effect of a horizontal surface on the jet the jet exit is positioned at various heights above the ground ranging from 0.1 m to 10 m. Free jet simulations are performed for comparison purposes.
Application of Risk Assessment Approach on a Hydrogen Station
Sep 2013
Publication
An accident modelling approach is used to assess the safety of a hydrogen station as part of a ground transportation network. The method incorporates prevention barriers associated to human factors management and organizational failures in a risk assessment framework. Failure probabilities of these barriers and end-states events are predicted using Fault Tree Analysis and Event Tree Analysis respectively. Results from the case study considered revealed the capability of the proposed method in estimating the likelihood of various outcomes as well as predicting the future probability. In addition the scheme offers opportunity to provide dynamic adjustment by updating the failure probability with actual plant data. Results from the analysis can be used to plan maintenance and management of change as required by the plant condition.
Numerical Investigation of Hydrogen Dispersion into Air
Sep 2009
Publication
Computational fluid dynamics (CFD) is used to numerically solve the sudden release of hydrogen from a high pressure tank (up to 70MPa) into air. High pressure tanks increase the risk of failure of the joints and pipes connected to the tank which results in release of Hydrogen. The supersonic flow caused by high pressure ratio of reservoir to ambient generates a strong Mach disk. A three dimensional in-house code is developed to simulate the flow. High pressure Hydrogen requires a real gas law because it deviates from ideal gas law. Firstly Beattie-Bridgeman and Abel-Noble real gas equation of states are applied to simulate the release of hydrogen in hydrogen. Then Abel-Noble is implied to simulate the release of hydrogen in air. Beattie-Bridgeman has stability problems in the case of hydrogen in air. A transport equation is used to solve the concentration of Hydrogen-air mixture. The code is second order accurate in space and first order in time and uses a modified Van Leer limiter. The fast release of Hydrogen from a small rupture needs a very small mesh therefore parallel computation is applied to overcome memory problems and to decrease the solution time. The high pressure ratio of the reservoir to ambient causes a very fast release which is accurately modelled by the code and all the shocks and Mach disk happening are observed in the results. The results show that the difference between real gas and ideal gas models cannot be ignored.
Lagrangian Reaction-Diffusion Model for Predicting the Ignitability of Pressurized Hydrogen Releases
Sep 2009
Publication
Previous experiments demonstrated that the accidental release of high pressure hydrogen into air can lead to the possibility of spontaneous ignition. It is believed that this ignition is due to the heating of the mixing layer between hydrogen and air that is caused by the shock wave driven by the pressurized hydrogen during the release. Currently this problem is poorly understood and not amenable to direct numerical simulation. This is due to the presence of a wide range of scales between the sizes of the blast wave driven and the very thin mixing layer. The present study addresses this fundamental ignition problem and develops a solution framework in order to predict the ignition event for given hydrogen storage pressures and dimension of the release hole. In this problem only the mixing layer between the hydrogen and air is considered. This permits us to use much higher resolution than previous studies. This mixing layer at the jet head is advected as a Lagrangian fluid particle. The key physical processes in the problem are identified to be the mixing of the two gases at the mixing layer the initial heating by the shock wave and a cooling effect due to the expansion of the mixing layer. The results of the simulations indicate that for every storage pressure there exists a critical hole size below which ignition is prevented during the release process. Close inspection of the results indicate that this limit is due to the competition between the heating provided by the shock wave and the cooling due to expansion. Furthermore the results also indicate that the details of the mixing process do not play a significant role to leading order. The limiting ignition criteria were found to be well approximated by the Homogeneous Ignition Model of Cuenot and Poinsot supplemented by a heat loss term due to expansion. Therefore turbulent mixing occurring in reality is not likely to affect the ignition limits derived in the present study. Comparison with existing experiments showed very good agreement.
Experimental Investigation of Spherical-flame Acceleration in Lean Hydrogen-air Mixtures
Oct 2015
Publication
Large-scale experiments examining spherical-flame acceleration in lean hydrogen-air mixtures were performed in a 64 m3 constant-pressure enclosure. Equivalence ratios ranging from 0.33 to 0.57 were examined using detailed front tracking for flame diameters up to 1.2 m through the use of a Background Oriented Schlieren (BOS) technique. From these measurements the critical radii for onset of instability for these mixtures on the order of 2–3 cm were obtained. In addition the laminar burning velocity and rate of flame acceleration as a function of radius were also measured.
Evaluation of Hydrogen, Propane and Methane-air Detonations Instability and Detonability
Sep 2013
Publication
In this paper the detonation propensity of different compositions of mixtures of hydrogen propane and methane with air has been evaluated over a wide range of compositions. We supplement the conventional calculations of the induction delay with calculations of the characteristic acceleration parameter recently suggested by Radulescu Sharpeand Bradley(RSB) to characterize the instability of detonations. While it is well established that the ignition delay provides a good measure for detonability the RSB acceleration or its non-dimensionalform provides a further discriminant between mixtures with similar ignition delays. The present assessment of detonability reveals that while a stoichiometric mixture of hydrogen-air has an ignition delay one and two orders of magnitude shorter than respectively propane and methane hydrogen also has a parameter smaller by respectively one and two orders of magnitude. Its smaller propensity for instability is reflected by an RSB acceleration parameter similar to the two hydrocarbons. The predictions however indicate that lean hydrogen mixtures are likely to be much more unstable than stoichiometric ones. The relation between the parameter and potential to amplify an unstable transverse wave structure has been further determined through numerical simulation of decaying reactive Taylor-Sedov blast waves. Using a simplified two-step model calibrated for these fuels we show that methane mixtures develop cellular structures more readily than propane and hydrogen when observed on similar induction time scales. Future work should be devoted towards a quantitative inclusion of the RSB parameter in assessing the detonability of a given mixture.
Modelling Of Hydrogen Explosion on a Pressure Swing Adsorption Facility
Sep 2011
Publication
Computational fluid dynamic simulations have been performed in order to study the consequences of a hydrogen release from a pressure swing adsorption installation operating at 30 barg. The simulations were performed using FLACS-Hydrogen software from GexCon. The impact of obstruction partial confinement leak orientation and wind on the explosive cloud formation (size and explosive mass) and on explosion consequences is investigated. Overpressures resulting from ignition are calculated as a function of the time to ignition.
Implementation of Large Scale Shadowgraphy in Hydrogen Safety Phenomena
Sep 2013
Publication
We have implemented a portable large-scale shadowgraph system for use in flow visualization relating to hydrogen safety. Previous large-scale shadowgraph and schlieren implementations have often been limited to background- oriented techniques which are subject to noise. The system built is based on a large-scale shadowgraph technique developed by Settles which allows for high-quality visualization. We have applied the shadowgraph system to complex phenomena and current issues in hydrogen safety including DDT in long channels jet releases and unconfined deflagrations. Shadowgrams taken are compared to a Z-schlieren system. This shadowgraph system allows analysis of these phenomena at longer length scales.
Flammability Profiles Associated with High-pressure Hydrogen Jets Released in Close Proximity to Surfaces
Oct 2015
Publication
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.
Numerical Solution for Thermodynamic Model of Charge-discharge Cycle in Compressed Hydrogen Tank
Mar 2019
Publication
The safety and convenience of hydrogen storage are significant for fuel cell vehicles. Based on mass conservation equation and energy conservation equation two thermodynamic models (single zone model and dual zone model) have been established to study the hydrogen gas temperature and tank wall temperature for compressed hydrogen storage tank. With two models analytical solution and Euler solution for single zone (gas zone) charge-discharge cycle have been compared Matlab/Simulink solution and Euler solution for dual zone (gas zone wall zone) charge-discharge cycle have been compared. Three charge-discharge cycle cases (Case 1 constant inflow temperature; Case 2 variable inflow temperature; Case 3 constant inflow temperature variable outflow temperature) and two compressed hydrogen tanks (Type III 25L Type IV 99L) charge-discharge cycle are studied by Euler method. Results show Euler method can well predict hydrogen temperature and tank wall temperature.
Numerical Simulation of Combustion of Natural Gas Mixed with Hydrogen in Gas Boilers
Oct 2021
Publication
Hydrogen mixed natural gas for combustion can improve combustion characteristics and reduce carbon emission which has important engineering application value. A casing swirl burner model is adopted to numerically simulate and research the natural gas hydrogen mixing technology for combustion in gas boilers in this paper. Under the condition of conventional air atmosphere and constant air excess coefficient the six working conditions for hydrogen mixing proportion into natural gas are designed to explore the combustion characteristics and the laws of pollution emissions. The temperature distributions composition and emission of combustion flue gas under various working conditions are analyzed and compared. Further investigation is also conducted for the variation laws of NOx and soot generation. The results show that when the boiler heating power is constant hydrogen mixing will increase the combustion temperature accelerate the combustion rate reduce flue gas and CO2 emission increase the generation of water vapor and inhibit the generation of NOx and soot. Under the premise of meeting the fuel interchangeability it is concluded that the optimal hydrogen mixing volume fraction of gas boilers is 24.7%.
Experimental Study of the Spontaneous Ignition of Partly Confined Hydrogen Jets
Sep 2011
Publication
The current study addresses the spontaneous ignition of hydrogen jets released into a confined oxidizer environment experimentally. The experiments are conducted in a shock tube where hydrogen gas is shock-accelerated into oxygen across a perforated plate. The operating conditions and hole dimension of the plate were varied in order to identify different flow field and ignition scenarios. Time resolved Schlieren visualization permitted to reconstruct the gasdynamic evolution of the release and different shock interactions. Time resolved self-luminosity records permitted us to record whether ignition was achieved and also to record the dimension of the turbulent mixing layer. The ignition limits determined experimentally in good agreement with the 1D diffusion ignition model proposed by Maxwell and Radulescu. Nevertheless the experiments demonstrated that the mixing layer is two to three orders of magnitude thicker than predicted by molecular diffusion which can be attributed to the observed mixing layer instabilities and shock-mixing layer interactions which provide a much more intense mixing rate than anticipated from previous and current numerical predictions. These observations further clarify why releases through partly confined geometries are more conducive to jet ignition of the jets.
HIAD – Hydrogen Incident and Accident Database
Sep 2011
Publication
The Hydrogen Incident and Accident Database (HIAD) is being developed as a repository of systematic data describing in detail hydrogen-related undesired events (incidents or accidents). It is an open web-based information system serving various purposes such as a data source for lessons learnt risk communication and partly risk assessment. The paper describes the features of the three HIAD modules – the Data Entry Module (DEM) the Data Retrieval Module (DRM) and the Data Analysis Module (DAM) – and the potential impact the database may have on hydrogen safety. The importance of data quality assurance process is also addressed.
Experimental Results and Comparison with Simulated Data of a Low Pressure Hydrogen Jet
Sep 2011
Publication
Experiments with a hydrogen jet were performed at two different pressures 96 psig (6.6 bars) and 237 psig (16.3 bars). The hydrogen leak was generated at two different hole sizes 1/16 inch (1.6 mm) and 1/32 inch (0.79 mm). The flammable shape of the plume was characterised by numerous measurements of the hydrogen concentration inside of the jet. The effect of the nearby horizontal surface on the shape of the plume was measured and compared with results of CFD numerical simulations. The paper will present results and an interpretation on the nature of the plume shape.
A Comparative Study of Detonability and Propensity to Sustain High-speed Turbulent Deflagrations in Hydrogen and Methane Mixtures
Sep 2013
Publication
We’ve studied the conditions enabling a detonation to be quenched when interacting with an obstruction and the propensity for establishing subsequent fast-flame. Oxy-hydrogen detonations were found quench more easily than oxy-methane detonations when comparing the ratio of gap size and the detonation cell size. High-speed turbulent deflagrations that re-accelerate back to a detonation were only observed in methane-oxygen mixtures. Separate hot-spot ignition calculations revealed that the higher detonability of methane correlates with its stronger propensity to develop localized hot-spots. The results suggest that fast-flames are more difficult to form in hydrogen than in methane mixtures.
Ignition Experiments of Hydrogen Mixtures by Different Methods and Description of the DRDC Test Facilities
Sep 2009
Publication
The paper will present results of hydrogen/oxygen mixtures ignited by using electric sparks electrostatic discharges a heating element and a flame. Measurements of the lower flammability limit (LFL) was done for each ignition method. The hydrogen mixtures of different concentrations were ignited at the bottom of a combustion chamber leading to an upward propagation of the resulting flame. At some level of concentration the combustion was partial due to the limited upward propagation. The complete combustion of the whole mixture was observed at concentration limits higher than the known LFL of 4% vol. for hydrogen in air. The paper will describe the test facilities and the resulting ignition probabilities for different ignition methods.
Quantitative Imaging of Multi-Component Turbulent Jets
Sep 2011
Publication
The integration of a hydrogen gas storage arrangement in vehicles has not been without its challenges. Gaseous state of hydrogen at ambient temperature combined with the fact that hydrogen is highly flammable results in the requirement of more robust high pressure storage systems that can meet modern safety standards. To develop these new safety standards and to properly predict the phenomena of hydrogen dispersion a better understanding of the resulting flow structures and flammable region from controlled and uncontrolled releases of hydrogen gas must be achieved. With the upper and lower explosive limits of hydrogen known the flammable envelope surrounding the site of a uncontrolled hydrogen release can be found from the concentration field. In this study the subsonic release of hydrogen was emulated using helium as a substitute working fluid. A sharp orifice round turbulent jet is used to emulate releases in which leak geometry is circular. Effects of buoyancy and crossflow were studied over a wide range of Froude numbers. The velocity fields of turbulent jets were characterized using particle image velocimetry (PIV). The mean and fluctuation velocity components were well quantified to show the effect of buoyancy due to the density difference between helium and the surrounding air. In the range of Froude numbers investigated (Fr = 1000 750 500 250 and 50) the increasing effects of buoyancy were seen to be proportional to the reduction of the Fr number. While buoyancy is experienced to have a negligible effect on centerline velocity fluctuations acceleration due to buoyancy in the other hand resulted in a slower decay of time-averaged axial velocity component along the centerline. The obtained results will serve as control reference values for further concentration measurement study and for computational fluid dynamics (CFD) validation.
CFD Simulations of the Effect of Ventilation on Hydrogen Release Behavior and Combustion in an Underground Mining Environment
Sep 2013
Publication
CFD simulations investigating the effect of ventilation airflow on hydrogen release behaviour in an underground mining tunnel were performed using FLACS hydrogen. Both dispersion and combustion scenarios of a hydrogen release coming from a severed distribution pipeline were investigated. Effects on the hydrogen dispersion such as ventilation strength and the mechanism of air flow supply (a pull or push fan) and mine opening surface roughness surface cavities and obstructions were explored. Results showing the effect of changing the position of the leak adding a cavity on the ceiling of the tunnel and changing the roughness of the walls are given. Overpressure sensitivity to the ignition delay was also considered. From the results for the varied ventilation regimes and spatial scenarios it is difficult to identify the optimal ventilation strategy giving the safest conditions for hydrogen distribution and refuelling in an underground mine.
Fire Protection Strategy for Compressed Hydrogen-Powered Vehicles
Sep 2007
Publication
Virtually all major automotive companies are currently developing hydrogen-powered vehicles. The vast majority of them employ compressed hydrogen tanks and components as a means of storing the fuel onboard. Compressed hydrogen vehicle fuel systems are designed in the same way as compressed natural gas vehicles (NGV) i.e. the high pressure (up to 70 MPa) fuel is always contained within the system under all conditions with the exception of vehicular fire. In the event of a vehicle fire the fuel system is protected using a non-reclosing thermally activated pressure relief device (PRD) which safely vents the contents. Hydrogen fuel system PRDs are presently qualified to the performance requirements specified in draft hydrogen standards such ANSI/CSA HPRD 1 and EIHP Rev. 12b. They are also qualified with individual fuel tank designs in accordance with the engulfing bonfire requirements in various published/draft tank standards such as CSA B51 Part 2 JARI S001 SAE TIR J2579 ANSI/CSA HGV 2 ISO DIS 15869.2 and EIHP Rev. 12b. Since 2000 there have been over 20 documented NGV tank failures in service 11 of which have been attributed to vehicle fires. This paper will examine whether currently proposed hydrogen performance standards and installation requirements offer suitable fuel system protection in the event of vehicular fires. A number of alternative fire protection strategies will be discussed including:
- The requirement of an engulfing and/or localized fire test for individual tanks fuel systems and complete vehicles;
- The advantages/disadvantages of point source- surface area- and/or fuse-based PRDs
- The use of thermal insulating coatings/blankets for fire protection resulting in the NONventing of the fuel
- The specification of appropriate fuel system installation requirements to mitigate the effect of vehicular fires.
Simulation of Shock-Initiated Ignition
Sep 2009
Publication
The scenario of detonative ignition in shocked mixture is significant because it is a contributor to deflagration to detonation transition for example following shock reflections. However even in one dimension simulation of ignition between a contact surface or a flame and a shock moving into a combustible mixture is difficult because of the singular nature of the initial conditions. Initially as the shock starts moving into reactive mixture the region filled with reactive mixture has zero thickness. On a fixed grid the number of grid points between the shock and the contact surface increases as the shock moves away from the latter. Due to initial lack of resolution in the region of interest staircasing may occur whereby the resulting plots consist of jumps between few values a few grid points and these numerical artifacts are amplified by the chemistry which is very sensitive to temperature leading to unreliable results. The formulation is transformed replacing time and space by time and space over time as the independent variables. This frame of reference corresponds to the self-similar formulation in which the non-reactive problem remains stationary and the initial conditions are well-resolved. Additionally a solution obtained from short time perturbation is used as initial condition at a time still short enough for the perturbation to be very accurate but long enough so that there is sufficient resolution. The numerical solution to the transformed problem is obtained using an essentially non-oscillatory algorithm which is adequate not only for the early part of the process but also for the latter part when chemistry leads to appearance of a shock and eventually a detonation wave is formed. A validation study was performed and the results were compared with the literature for single step Arrhenius chemistry. The method and its implementation were found to be effective. Results are presented for values of activation energy ranging from mild to stiff.
High Pressure Hydrogen Jets in the Presence of a Surface
Sep 2009
Publication
The effect of surfaces on the extent of high pressure vertical and horizontal unignited jets is studied using CFD numerical simulations performed with FLACS Hydrogen and Phoenics. For a constant flow rate release of hydrogen from a 284 bar storage unit through a 8.5 mm orifice located 1 meter from the ground the maximum extent of the flammable cloud is determined as a function of time and compared to a free vertical hydrogen jet under identical release conditions. The results are compared to methane numerical simulations and to the predictions of the Birch correlations for the size of the flammable cloud. We find that the maximum extent of the flammable clouds of free jets obtained using CFD numerical simulations for both hydrogen and methane are in agreement with the Birch predictions. For hydrogen horizontal free jets there is strong buoyancy effect observed towards the end of the flammable cloud thus noticeably reducing its centreline extent. For methane horizontal free jets this effect is not observed. For methane the presence of the ground results in a pronounced increase in the extent of the flammable cloud compared to a free jet. The effects of a surface on vertical jets are also studied.
Simulation of Detonation after an Accidental Hydrogen Release in Enclosed Environments
Sep 2007
Publication
An accidental hydrogen release in equipment enclosures may result in the presence of a detonable mixture in a confined environment. Numerical simulation is potentially a useful tool for damage assessment in these situations. To assess the value of CFD techniques numerical simulation of detonation was performed for two realistic scenarios. The first scenario starts with a pipe failure in an electrolyzer resulting in a leak of 42 g of hydrogen. The second scenario deals with a failure in a reformer where 84 g of hydrogen is released. In both cases dispersion patterns were first obtained from separate numerical simulation and were then used as initial condition in a detonation simulation based upon the reactive Euler's equations. Energy was artificially added in a narrow region to simulate detonative ignition. In the electrolyzer ignition was assumed to occur 500 ms after beginning of the release. Results show a detonation failing on the top and bottom side but propagating left and right before eventually failing also. Average impulse was 500 Ns/m². For the reformer three cases were simulated with ignition 1.0 1.4 and 2.0 seconds after the beginning of the release. In two cases the detonation wave failed everywhere except in the direction of the release in which it continued propagating until reaching the side wall. In the third the detonation failed everywhere at first but later a deflagration to detonation transition occurred resulting in a strong wave that propagated rapidly toward the side wall. In all three cases the consequences are more serious than in the electrolyzer.
Enhancing the Efficiency of Power- and Biomass-to-liquid Fuel Processes Using Fuel-assisted Solid Oxide Electrolysis Cells
Apr 2022
Publication
Power- and biomass-to-liquid fuel processes (PBtL) can utilize renewable energy and residual forestry waste to produce liquid synthetic fuels which have the potential to mitigate the climate impacts of the current transportation infrastructure including the long-haul aviation sector. In a previous study we demonstrated that implementing a solid oxide electrolysis cell (SOEC) in the PBtL process can significantly increase the energy efficiency of fuel production by supplying the produced hydrogen to a reverse water gas shift (RWGS) reactor to generate syngas which is then fed downstream to a Fischer–Tropsch (FT) reactor. The tail gas emitted from the FT reactor consists primarily of a mixture of hydrogen carbon monoxide and methane and is often recycled to the entrained flow gasifier located at the beginning of the process. In this analysis we investigate the efficiency gains of the PBtL process as a result of redirecting the tail gas of the FT reactor to the anode of an SOEC to serve as fuel. Supplying fuel to an SOEC can lower the electrical work input required to facilitate steam electrolysis when reacting electrochemically with oxide ions in the anode which in turn can reduce oxygen partial pressures and thus alleviate material degradation. Accordingly we develop a thermodynamic framework to reveal the performance limits of fuel-assisted SOECs (FASOECs) and provide strategies to minimize oxygen partial pressures in the SOEC anode. Additionally we elucidate how much fuel is required to match the heating demands of a cell when steam is supplied to the cathode over a broad range of inlet temperatures and demonstrate the influence of a set of reaction pathways of the supplied fuel on the operating potential of an FASOEC and the corresponding efficiency gain of the PBtL process. Based on preliminary calculations we estimate that implementing an FASOEC in the PBtL process can increase the energy efficiency of fuel production to more than 90% depending on the amount of FT tail gas available to the system.
Kinetic Modeling and Quantum Yields: Hydrogen Production via Pd‐TiO2 Photocatalytic Water Splitting under Near‐UV and Visible Light
Jan 2022
Publication
A palladium (Pd) doped mesoporous titanium dioxide (TiO2) photocatalyst was used to produce hydrogen (H2) via water splitting under both near‐UV and visible light. Experiments were carried out in the Photo‐CREC Water‐II Reactor (PCW‐II) using a 0.25 wt% Pd‐TiO2 photocatalyst initial pH = 4 and 2.0 v/v% ethanol as an organic scavenger. After 6 h of near‐UV irradiation this photocatalyst yielded 113 cm3 STP of hydrogen (H2). Furthermore after 1 h of near‐UV photoreduc‐ tion followed by 5 h of visible light the 0.25 wt% Pd‐TiO2 photocatalyst yielded 5.25 cm3 STP of H2. The same photocatalyst photoreduced for 24 h under near‐UV and subsequently exposed to 5 h of visible light yielded 29 cm3 STP of H2. It was observed that the promoted redox reactions led to the production of hydrogen and by‐products such as methane ethane ethylene acetaldehyde carbon monoxide carbon dioxide and hydrogen peroxide. These redox reactions could be modeled using an “in series‐parallel” reaction network and Langmuir Hinshelwood based kinetics. The proposed rate equations were validated using statistical analysis for the experimental data and calculated kinetic parameters. Furthermore Quantum yields (QYୌ%) based on the H produced were also established at promising levels: (a) 34.8% under near‐UV light and 1.00 g L−1 photocatalyst concen‐ tration; (b) 8.8% under visible light and 0.15 g L−1. photocatalyst concentration following 24 h of near‐UV.
PRD Hydrogen Release and Dispersion, a Comparison of CFD Results Obtained from Using Ideal and Real Gas Law Properties.
Sep 2005
Publication
In this paper CFD techniques were applied to the simulations of hydrogen release from a 400-bar tank to ambient through a Pressure Relieve Device (PRD) 6 mm (¼”) opening. The numerical simulations using the TOPAZ software developed by Sandia National Laboratory addressed the changes of pressure density and flow rate variations at the leak orifice during release while the PHOENICS software package predicted extents of various hydrogen concentration envelopes as well as the velocities of gas mixture for the dispersion in the domain. The Abel-Noble equation of state (AN-EOS) was incorporated into the CFD model implemented through the TOPAZ and PHOENICS software to accurately predict the real gas properties for hydrogen release and dispersion under high pressures. The numerical results were compared with those obtained from using the ideal gas law and it was found that the ideal gas law overestimates the hydrogen mass release rates by up to 35% during the first 25 seconds of release. Based on the findings the authors recommend that a real gas equation of state be used for CFD predictions of high-pressure PRD releases.
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