Canada
New Integrated Process for the Efficient Production of Methanol, Electrical Power, and Heating
Jan 2022
Publication
In this paper a novel process is developed to cogenerate 4741 kg/h of methanol 297.7 kW of electricity and 35.73 ton/h of hot water including a hydrogen purification system an absorption– compression refrigeration cycle (ACRC) a regenerative Organic Rankine Cycle (ORC) and parabolic solar troughs. The heat produced in the methanol reactor is recovered in the ORC and ACRC. Parabolic solar troughs provide thermal power to the methanol distillation tower. Thermal efficiencies of the integrated structure and the liquid methanol production cycle are 78.14% and 60.91% respectively. The process’s total exergy efficiency and irreversibility are 89.45% and 16.89 MW. The solar thermal collectors take the largest share of exergy destruction (34%) followed by heat exchangers (30%) and mixers (19%). Based on the sensitivity analysis D17 (mixture of H2 and low-pressure fuel gas before separation) was the most influential stream affecting the performance of the process. With the temperature decline of stream D17 from −139 to −149 °C the methanol production rate and the total thermal efficiency rose to 4741.2 kg/h and 61.02% respectively. Moreover the growth in the hydrogen content from 55% to 80% molar of the feed gas the flow rate of liquid methanol and the total exergy efficiency declined to 4487 kg/h and 86.05%.
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.
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.
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.
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.
Effect of Anion Exchange Ionomer Content on Electrode Performance in AEM Water Electrolysis
Aug 2020
Publication
Anion exchange membrane water electrolysis (AEMWE) has acquired substantial consideration as a cost-effective hydrogen production technology. The anion ionomer content in the catalyst layers during hydrogen and oxygen evolution reaction (HER and OER) is of ultimate significance. Herein an in-situ half-cell analysis with reference electrodes was carried out for simultaneous potential measurements and identification of the influence of the anion exchange ionomer (AEI) content on anode and cathode performance. The measured half-cell potentials proved the influence of AEI content on the catalytic activity of HER and OER which was supported by the rotating disk electrode (RDE) measurements. Cathode overpotential of Ni/C was not negligible and more affected by the AEI content than anode with the optimized AEI content of 10 wt% while NiO anode OER overpotential was independent of the AEI content. For the same AEI content PGM catalysts showed higher electroactivity than Ni-based catalysts for HER and OER and the cathode catalyst's intrinsic activity is of high importance in the AEM electrolysis operation. Post-mortem analysis by SEM mapping of both AEI and catalyst distributions on the electrode surface showed the effect of AEI loading on the catalyst morphology which could be related to the electrode performance.
Hydrogen Strategy for Canada: Seizing the Opportunities for Hydrogen - A Call to Action
Dec 2020
Publication
For more than a century our nation’s brightest minds have been working on the technology to turn the invisible promise of hydrogen into tangible solutions. Canadian ingenuity and innovation has once again brought us to a pivotal moment. As we rebuild our economy from the impacts of COVID-19 and fight the existential threat of climate change the development of low-carbon hydrogen is a strategic priority for Canada. The time to act is now.<br/>The Hydrogen Strategy for Canada lays out an ambitious framework for actions that will cement hydrogen as a tool to achieve our goal of net-zero emissions by 2050 and position Canada as a global industrial leader of clean renewable fuels. This strategy shows us that by 2050 clean hydrogen can help us achieve our net-zero goal—all while creating jobs growing our economy and protecting our environment. This will involve switching from conventional gasoline diesel and natural gas to zero-emissions fuel sources taking advantage of new regulatory environments and embracing new technologies to give Canadians more choice of zero emission alternatives.<br/>As one of the top 10 hydrogen producers in the world today we are rich in the feedstocks that produce hydrogen. We are blessed with a strong energy sector and the geographic assets that will propel Canada to be a major exporter of hydrogen and hydrogen technologies. Hydrogen might be nature’s smallest molecule but its potential is enormous. It provides new markets for our conventional energy resources and holds the potential to decarbonize many sectors of our economy including resource extraction freight transportation power generation manufacturing and the production of steel and cement. This Strategy is a call to action. It will spur investments and strategic partnerships across the country and beyond our borders. It will position Canada to seize economic and environmental opportunities that exist coast to coast. Expanding our exports. Creating as many as 350000 good green jobs over the next three decades. All while dramatically reducing our greenhouse gas emissions. And putting a net-zero future within our reach.<br/>The importance of Canada’s resource industries and our clean technology sectors has been magnified during the pandemic. We must harness our combined will expertise and financial resources to fully seize the opportunities that hydrogen presents. This strategy is the product of three years of study and analysis including extensive engagement sessions where we heard from more than 1500 of our country’s leading experts and stakeholders. But its release is not the end of a process. This is only the beginning. Together we will use this Strategy to guide our actions and investments. By working with provinces and territories Indigenous partners and the private-sector and by leveraging our many advantages we will create the prosperity we all want protect the planet we all cherish and we will ensure we leave no one behind.
A Review of Recent Advances on the Effects of Microstructural Refinement and Nano-Catalytic Additives on the Hydrogen Storage Properties of Metal and Complex Hydrides
Dec 2010
Publication
The recent advances on the effects of microstructural refinement and various nano-catalytic additives on the hydrogen storage properties of metal and complex hydrides obtained in the last few years in the allied laboratories at the University of Waterloo (Canada) and Military University of Technology (Warsaw Poland) are critically reviewed in this paper. The research results indicate that microstructural refinement (particle and grain size) induced by ball milling influences quite modestly the hydrogen storage properties of simple metal and complex metal hydrides. On the other hand the addition of nanometric elemental metals acting as potent catalysts and/or metal halide catalytic precursors brings about profound improvements in the hydrogen absorption/desorption kinetics for simple metal and complex metal hydrides alike. In general catalytic precursors react with the hydride matrix forming a metal salt and free nanometric or amorphous elemental metals/intermetallics which in turn act catalytically. However these catalysts change only kinetic properties i.e. the hydrogen absorption/desorption rate but they do not change thermodynamics (e.g. enthalpy change of hydrogen sorption reactions). It is shown that a complex metal hydride LiAlH4 after high energy ball milling with a nanometric Ni metal catalyst and/or MnCl2 catalytic precursor is able to desorb relatively large quantities of hydrogen at RT 40 and 80 °C. This kind of behavior is very encouraging for the future development of solid state hydrogen systems.
Quantification of Temperature Dependence of Hydrogen Embrittlement in Pipeline Steel
Feb 2019
Publication
The effects of temperature on bulk hydrogen concentration and diffusion have been tested with the Devanathan–-Stachurski method. Thus a model based on hydrogen potential diffusivity loading frequency and hydrostatic stress distribution around crack tips was applied in order to quantify the temperature’s effect. The theoretical model was verified experimentally and confirmed a temperature threshold of 320 K to maximize the crack growth. The model suggests a nanoscale embrittlement mechanism which is generated by hydrogen atom delivery to the crack tip under fatigue loading and rationalized the ΔK dependence of traditional models. Hence this work could be applied to optimize operations that will prolong the life of the pipeline.
The ‘Green’ Ni-UGSO Catalyst for Hydrogen Production under Various Reforming Regimes
Jun 2021
Publication
A new spinelized Ni catalyst (Ni-UGSO) using Ni(NO3)2·6H2O as the Ni precursor was prepared according to a less material intensive protocol. The support of this catalyst is a negative-value mining residue UpGraded Slag Oxide (UGSO) produced from a TiO2 slag production unit. Applied to dry reforming of methane (DRM) at atmospheric pressure T = 810 °C space velocity of 3400 mL/(h·g) and molar CO2/CH4 = 1.2 Ni-UGSO gives a stable over 168 h time-on-stream methane conversion of 92%. In this DRM reaction optimization study: (1) the best performance is obtained with the 10–13 wt% Ni load; (2) the Ni-UGSO catalysts obtained from two different batches of UGSO demonstrated equivalent performances despite their slight differences in composition; (3) the sulfur-poisoning resistance study shows that at up to 5.5 ppm no Ni-UGSO deactivation is observed. In steam reforming of methane (SRM) Ni-UGSO was tested at 900 °C and a molar ratio of H2O/CH4 = 1.7. In this experimental range CH4 conversion rapidly reached 98% and remained stable over 168 h time-on-stream (TOS). The same stability is observed for H2 and CO yields at around 92% and 91% respectively while H2/CO was close to 3. In mixed (dry and steam) methane reforming using a ratio of H2O/CH4 = 0.15 and CO2/CH4 = 0.97 for 74 h and three reaction temperature levels (828 °C 847 °C and 896 °C) CH4 conversion remains stable; 80% at 828 °C (26 h) 85% at 847 °C (24 h) and 95% at 896 °C (24 h). All gaseous streams have been analyzed by gas chromatography. Both fresh and used catalysts are analyzed by scanning electron microscopy-electron dispersive X-ray spectroscopy (SEM-EDXS) X-ray diffraction (XRD) and thermogravimetric analysis (TGA) coupled with mass spectroscopy (MS) and BET Specific surface. In the reducing environment of reforming such catalytic activity is mainly attributed to (a) alloys such as FeNi FeNi3 and Fe3Ni2 (reduction of NiFe2O4 FeNiAlO4) and (b) to the solid solution NiO-MgO. The latter is characterized by a molecular distribution of the catalytically active Ni phase while offering an environment that prevents C deposition due to its alkalinity.
Transition of Future Energy System Infrastructure; through Power-to-Gas Pathways
Jul 2016
Publication
Power-to-gas is a promising option for storing interment renewables nuclear baseload power and distributed energy and it is a novel concept for the transition to increased renewable content of current fuels with an ultimate goal of transition to a sustainable low-carbon future energy system that interconnects power transportation sectors and thermal energy demand all together. The aim of this paper is to introduce different Power-to-gas “pathways” including Power to Hydrogen Power to Natural Gas End-users Power to Renewable Content in Petroleum Fuel Power to Power Seasonal Energy Storage to Electricity Power to Zero Emission Transportation Power to Seasonal Storage for Transportation Power to Micro grid Power to Renewable Natural Gas (RNG) to Pipeline (“Methanation”) and Power to Renewable Natural Gas (RNG) to Seasonal Storage. In order to compare the different pathways the review of key technologies of Power-to-gas systems are studied and the qualitative efficiency and benefits of each pathway is investigated from the technical points of view. Moreover different Power-to-gas pathways are discussed as an energy policy option that can be implemented to transition towards a lower carbon economy for Ontario’s energy systems
A Methodology for Assessing the Sustainability of Hydrogen Production from Solid Fuels
May 2010
Publication
A methodology for assessing the sustainability of hydrogen production using solid fuels is introduced in which three sustainability dimensions (ecological sociological and technological) are considered along with ten indicators for each dimension. Values for each indicator are assigned on a 10-point scale based on a high of 1 and a low of 0 depending on the characteristic of the criteria associated with each element or process utilizing data reported in the literature. An illustrative example is presented to compare two solid fuels for hydrogen production: coal and biomass. The results suggest that qualitative sustainability indicators can be reasonably defined based on evaluations of system feasibility and that adequate flexibility and comprehensiveness is provided through the use of ten indicators for each of the dimensions for every process or element involved in hydrogen production using solid fuels. Also the assessment index values suggest that biomasses have better sustainability than coals and that it may be advantageous to use coals in combination with biomass to increase their ecological and social sustainability. The sustainability assessment methodology can be made increasingly quantitative and is likely extendable to other energy systems but additional research and development is needed to lead to a more fully developed approach.
Recovery Through Reform: Advancing a Hydrogen Economy While Minimizing Fossil Fuel Subsidies
Feb 2021
Publication
This brief explores recent momentum on hydrogen and evaluates potential implications for subsidies for fossil fuel-based hydrogen given the government's commitments on fossil fuel subsidies.
Spending on hydrogen has the potential to significantly influence the direction taken by the world’s energy systems. In December 2020 Canada unveiled a national hydrogen strategy following the announcement of a strengthened climate plan. The strategy emphasized both blue and green hydrogen. As the government considers whether to provide subsidies for hydrogen we recommend government:
This brief is one of three International Institute for Sustainable Development (IISD) policy briefs in its Recovery Through Reform series which assesses how efforts to achieve a green recovery from COVID-19 in Canada rely on—and can contribute to—fossil fuel subsidy reform.
Spending on hydrogen has the potential to significantly influence the direction taken by the world’s energy systems. In December 2020 Canada unveiled a national hydrogen strategy following the announcement of a strengthened climate plan. The strategy emphasized both blue and green hydrogen. As the government considers whether to provide subsidies for hydrogen we recommend government:
- Ensure that any subsidies for hydrogen are in line with the government’s commitments to phase out inefficient fossil fuel subsidies by 2025 and meet net-zero by 2050.
- Thoroughly evaluate the potential efficiency of subsidies for hydrogen against robust social environmental and economic criteria. • Improve transparency by publicly reporting on direct spending and tax expenditures for hydrogen production.
- Follow international best practices being set by Canada’s peers. For example Germany and Spain have laid out hydrogen strategies prioritizing green hydrogen.
This brief is one of three International Institute for Sustainable Development (IISD) policy briefs in its Recovery Through Reform series which assesses how efforts to achieve a green recovery from COVID-19 in Canada rely on—and can contribute to—fossil fuel subsidy reform.
Hydrogen Safety, Training and Risk Assessment System
Sep 2007
Publication
The rapid evolution of information related to hydrogen safety is multidimensional ranging from developing codes and standards to CFD simulations and experimental studies of hydrogen releases to a variety of risk assessment approaches. This information needs to be transformed into system design risk decision-making and first responder tools for use by hydrogen community stakeholders. The Canadian Transportation Fuel Cell Alliance (CTFCA) has developed HySTARtm an interactive Hydrogen Safety Training And Risk System. The HySTARtm user interacts with a Web-based 3-D graphical user interface to input hydrogen system configurations. The system includes a Codes and Standards Expert System that identifies the applicable codes and standards in a number of national jurisdictions that apply to the facility and its components. A Siting Compliance and Planning Expert System assesses compliance with clearance distance requirements in these jurisdictions. Incorporating the results of other CTFCA projects HySTARtm identifies stand-out hydrogen release scenarios and their corresponding release condition that serves as input to built-in consequence and risk assessment programs that output a variety of risk assessment metrics. The latter include on- and off-site individual risk probability of loss of life and expected number of fatalities. These results are displayed on the graphical user interface used to set up the facility. These content and graphical tools are also used to educate regulatory approval and permitting officials and build a first-responder training guide.
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.
CFD Modeling of Hydrogen Dispersion Experiments for SAE J2578 Test Methods Development
Sep 2007
Publication
This paper discusses the results of validation of Computational Fluid Dynamics (CFD) modelling of hydrogen releases and dispersion inside a metal container imitating a single car garage based on experimental results. The said experiments and modelling were conducted as part of activities to predict fuel cell vehicles discharge flammability and potential build-up of hydrogen for the development of test procedures for the Recommended Practice for General Fuel Cell Vehicle Safety SAE J2578. The experimental setup included 9 hydrogen detectors located in each corner and in the middle of the roof of the container and a fan to ensure uniform mixing of the released hydrogen. The PHOENICS CFD software package was used to solve the continuity momentum and concentration equations with the appropriate boundary conditions buoyancy effect and turbulence models. Obtained modelling results matched experimental data of a high-rate injection of hydrogen with fan-forced dispersion used to create near-uniform mixtures with a high degree of accuracy. This supports the conclusion that CFD modelling will be able to predict potential accumulation of hydrogen beyond the experimental conditions. CFD modelling of hydrogen concentrations has proven to be reliable effective and relatively inexpensive tool to evaluate the effects of hydrogen discharge from hydrogen powered vehicles or other hydrogen containing equipment.
Electrification Opportunities in the Medium- and Heavy-Duty Vehicle Segment in Canada
Jun 2021
Publication
The medium- and heavy-duty (MD/HD) vehicle sector is a large emitter of greenhouse gases. It will require drastic emissions reductions to realize a net-zero carbon future. This study conducts fourteen short feasibility investigations in the Canadian context to evaluate the merits of battery electric or hydrogen fuel cell alternatives to conventional city buses inter-city buses school buses courier vehicles (step vans) refuse trucks long-haul trucks and construction vehicles. These “clean transportation alternatives” were evaluated for practicality economics and emission reductions in comparison to their conventional counterparts. Conclusions were drawn on which use cases would be best suited for accelerating the transformation of the MD/HD sector.
Alberta Hydrogen Roadmap
Nov 2021
Publication
Alberta is preparing for a lower emission future. The Hydrogen Roadmap is a key part of that future and Alberta's Recovery Plan. The roadmap is our path to building a provincial hydrogen economy and accessing global markets. It contains several policy actions that will be introduced in the coming months and years and it provides support to the sector as technology and markets develop.<br/>Alberta is already the largest hydrogen producer in Canada. We have all the resources expertise and technology needed to quickly become a global supplier of clean low-cost hydrogen. With a worldwide market estimated to be worth over $2.5 trillion a year by 2050 hydrogen can be the next great energy export that fuels jobs investment and economic opportunity across our province.
Experimental Study and Model Predictions on Helium Release in an Enclosure with Single or Multiple Vents
Sep 2021
Publication
This paper presents experiments performed at Canadian Nuclear Laboratories (CNL) to examine the dispersion behaviour of helium in a polycarbonate enclosure that was representative of a residential parking garage. The purpose was to gain a better understanding of the effect of buoyancy- or winddriven natural ventilation on hydrogen dispersion behaviour. Although hydrogen dispersion studies have been reported extensively in the literature gaps still exist in predictive methods for hazard analysis. Helium a simulant for hydrogen was injected near the centre of the floor with a flow rate ranging from 5 to 75 standard litres per minute through an upward-facing nozzle resulting in an injection Richardson number ranging between 10-1 and 102. The location of the nozzle varied from the bottom of the enclosure to near the ceiling to examine the impact of the nozzle elevation on the development of a stratified layer in the upper region of the enclosure. When the injection nozzle was placed at a sufficiently low elevation the vertical helium profile always consisted of a homogenous layer at the top overlaying a stratified layer at the bottom. To simulate outdoor environmental conditions a fan was placed in front of each vent to examine the effect of opposing or assisting wind on the dispersion. The helium transients in the uniform layer predicted with analytical models were in good agreement with the measured transients for the tests with injection at lower elevations or with no wind. Model improvements are required for adequately predicting transients with significantly stratified profiles or with wind.
Valorization and Sequestration of Hydrogen Gas from Biomass Combustion in Solid Waste Incineration NaOH Oxides of Carbon Entrapment Model (SWI-NaOH-OCE Model)
Dec 2019
Publication
The valorization of biomass-based solid wastes for both geotechnical engineering purposes and energy needs has been reviewed to achieve eco-friendly eco-efficient and sustainable engineering and reengineering of civil engineering materials and structures. The objective of this work was to review the procedure developed by SWI-NaOH-OCE Model for the valorization of biomass through controlled direct combustion and the sequestration of hydrogen gas for energy needs. The incineration model gave a lead to the sequestration of emissions released during the direct combustion of biomass and the subsequent entrapment of oxides of carbon and the eventual release of abundant hydrogen gas in the entrapment jar. The generation of geomaterials ash for the purpose of soil stabilization concrete and asphalt modification has encouraged greenhouse emissions but eventually the technology that has been put in place has made it possible to manage and extract these emissions for energy needs. The contribution from researchers has shown that hydrogen sequestration from other sources requires high amount of energy because of the lower energy states of the compounds undergoing thermal decomposition. But this work has presented a more efficient approach to release hydrogen gas which can easily be extracted and stored to meet the energy needs of the future as fuel cell batteries to power vehicles mobile devices robotic systems etc. More so the development of MXene as an exfoliated two-dimensional nanosheets with permeability and filtration selectivity properties which are connected to its chemical composition and structure used in hydrogen gas extraction and separation from its molecular combination has presented an efficient procedure for the production and management of hydrogen gas for energy purposes.
Decarbonization of Cement Production in a Hydrogen Economy
Apr 2022
Publication
The transition to net-zero emission energy systems creates synergistic opportunities across sectors. For example fuel hydrogen production from water electrolysis generates by-product oxygen that could be used to reduce the cost of carbon capture and storage (CCS) essential in the decarbonization of clinker production in cement making. To assess this opportunity a techno-economic assessment was carried out for the production of clinker using oxy-combustion in a natural gas-fueled plant coupled to CCS. Material and energy flows were assessed in a reference case for clinker production (oxygen from air no CCS) and compared to oxy-combustion clinker production from either an air separation unit (ASU 95% O2) or water electrolysis (100% O2) both coupled to CCS. Compared to the reference air-combusted clinker plant oxy-combustion increases thermal energy demand by 7% and electricity demand by 137% for ASU and 67% for electrolytic oxygen. The levelized cost of oxygen supply ranges from $49/tO2 for an on-site ASU to pipelined electrolytic O2 at $35/tO2 (200 km) or $13/t O2 (20 km). The cost of clinker for the reference plant without CCS increases linearly from $84/t clinker to $193/t clinker at a carbon price of $0/tCO2 to $150/tCO2 respectively. With oxy-combustion and CCS the clinker production cost ranges from $119 to $122/t clinker reflecting a breakeven carbon price of $39 to $53/tCO2 compared to the reference case. The lower cost for the electrolytic supply of by-product oxygen compared to ASU oxygen must be balanced against the reliability of supply the pipeline transport distance and the charges that may be added by the hydrogen producer.
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.
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.
A Large-Scale Study on the Effect of Ambient Conditions on Hydrogen Recombiner Induced Ignition
Sep 2019
Publication
Hydrogen recombiners (known in the nuclear industry as passive autocatalytic recombiners-PARs) in general can be utilized for mitigation of hydrogen in controlled areas where there is potential for hydrogen release and ventilation is not practical. Recombiners are widely implemented in the nuclear industry however there are other applications of recombiners outside the nuclear industry that have not yet been explored practically. The most notable benefit of recombiners over conventional hydrogen mitigation measures is their passive capability where power or operator actions are not needed for the equipment to remove hydrogen when it is present.
One of most significant concerns regarding the use of hydrogen recombiners in industry is their potential to ignite hydrogen at elevated concentrations (>6 vol%). The catalyst heated by the exothermal H2–O2 reaction is known to be a potential ignition source to cause hydrogen burns. An experimental program utilizing a full-size PAR at the Large-Scale Vented Combustion Test Facility (LSVCTF) has been carried out by Canadian Nuclear Laboratories (CNL) to investigate and understand the behaviour of hydrogen combustion induced by a PAR on a large-scale basis. A number of parameters external to the PAR have been explored including the effect of ambient humidity (steam) and temperature. The various aspects of this investigation will be discussed in this paper and examples of results are provided.
One of most significant concerns regarding the use of hydrogen recombiners in industry is their potential to ignite hydrogen at elevated concentrations (>6 vol%). The catalyst heated by the exothermal H2–O2 reaction is known to be a potential ignition source to cause hydrogen burns. An experimental program utilizing a full-size PAR at the Large-Scale Vented Combustion Test Facility (LSVCTF) has been carried out by Canadian Nuclear Laboratories (CNL) to investigate and understand the behaviour of hydrogen combustion induced by a PAR on a large-scale basis. A number of parameters external to the PAR have been explored including the effect of ambient humidity (steam) and temperature. The various aspects of this investigation will be discussed in this paper and examples of results are provided.
Compliance Measurements of Fuel Cell Electric Vehicle Exhaust
Sep 2019
Publication
The NREL Sensor Laboratory has been developing an analyzer that can verify compliance to the international United Nations Global Technical Regulation number 13 (GTR 13--Global Technical Regulation on Hydrogen and Fuel Cell Vehicles) prescriptive requirements pertaining to allowable hydrogen levels in the exhaust of fuel cell electric vehicles (FCEV) [1]. GTR 13 prescribes that the FCEV exhaust shall remain below 4 vol% H2 over a 3-second moving average and shall not at any time exceed 8 vol% H2 as verified with an analyzer with a response time (t90) of 300 ms or faster. GTR 13 has been implemented and is to serve as the basis for national regulations pertaining to hydrogen powered vehicle safety in the United States Canada Japan and the European Union. In the U.S. vehicle safety is overseen by the Department of Transportation (DOT) through the Federal Motor Vehicle Safety Standards (FMVSS) and in Canada by Transport Canada through the Canadian Motor Vehicle Safety Standard (CMVSS). The NREL FCEV exhaust analyzer is based upon a low-cost commercial hydrogen sensor with a response time (t90) of less than 250 ms. A prototype analyzer and gas probe assembly have been constructed and tested that can interface to the gas sampling system used by Environment and Climate Change Canada’s (ECCC) Emission Research and Measurement Section (ERMS) for the exhaust gas analysis. Through a partnership with Transport Canada ECCC will analyze the hydrogen level in the exhaust of a commercial FCEV. ECCC will use the NREL FCEV Exhaust Gas analyzer to perform these measurements. The analyzer was demonstrated on a FCEV operating under simulated road conditions using a chassis dynamometer at a private facility.
Recovery Through Reform: Assessing the climate compatibility of Canada’s COVID-19 response in 2020
Feb 2021
Publication
Governments around the world are leveraging unprecedented amounts of capital to respond to the pandemic and bailing out struggling industries. Trends in energy-related spending indicate that despite the green push the world’s largest economies have still favoured fossil energy over clean energy.<br/><br/>We evaluate energy-related spending in Canada in 2020 (since the onset of COVID-19) using data from the Energy Policy Tracker. Trends in Canada are then compared to flagship policies in key jurisdictions with recent progressive climate policy announcements including France Germany and the United Kingdom. The brief ends with broad recommendations on how Canada can better align its recovery funding with climate action and fossil fuel subsidy reform.<br/><br/>This brief is one of three International Institute for Sustainable Development (IISD) policy briefs in its Recovery Through Reform series which assesses how efforts to achieve a green recovery from COVID-19 in Canada rely on—and can contribute to—fossil fuel subsidy reform.
Experimental Study on Accumulation of Helium Released into a Semi-confined Enclosure without Ventilation
Sep 2019
Publication
This paper examines the helium dispersion behaviour in a 16.6 m3 enclosure with a small opening in the floor and distributed leaks along the edges. Helium a simulant for hydrogen was injected near the center of the floor with an injection rate ranging from 2 to 50 standard liters per minute (Richardson number of 0.3–134) through an upward-facing nozzle. In a short-term transient the helium distribution predicted with the models of Baines & Turner (1969) and Worster & Huppert (1983) matched the measured distributions reasonably well. In a long-term transient the vertical helium profile always reached a steady state which consisted of a homogenous layer at the top overlaying a stratified layer at the bottom. The helium transients in the uniform layer predicted with the models of Lowesmith (2009) and Prasad & Yang (2010) assuming a vent was located in the ceiling were in good agreement with the measured transients.
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.
The Hydrogen Executive Leadership Panel (HELP) Initiative for Emergency Responder Training
Sep 2007
Publication
In close cooperation with their Canadian counterparts United States public safety authorities are taking the first steps towards creating a proper infrastructure to ensure the safe use of the new hydrogen fuel cells now being introduced commercially. Currently public safety officials are being asked to permit hydrogen fuel cells for stationary power and as emergency power backups for the telecommunications towers that exist everywhere. Consistent application of the safety codes is difficult – in part because it is new – yet it is far more complex to train emergency responders to deal safely with the inevitable hydrogen incidents. The US and Canadian building and fire codes and standards are similar but not identical. The US and Canadian rules are unlikely to be useful to other nations without modification to suit different regulatory systems. However emergency responder safety training is potentially more universal. The risks strategies and tactics are unlikely to differ much by region. The Hydrogen Executive Leadership Panel (HELP) made emergency responder safety training its first priority because the transition to hydrogen depends on keeping incidents small and inoffensive and the public and responders safe from harm. One might think that advising 1.2 million firefighters and 800000 law enforcement officers about hydrogen risks is no more complicated than adding guidance to a website. One would be wrong. The term “training” has specific legal implications which may vary by state. For hazardous materials federal requirements apply. Insurance companies place training requirements on the policies they sell to fire departments including the thousands of small all-volunteer departments which may operate as private corporations. Union contracts may define training and promotions may be based on satisfactorily completed certain levels of training. Emergency responders could no sooner learn how to extinguish a<br/>hydrogen fire by reading a webpage than a person could learn to ride a bicycle by reading a book. Procedures must be learned by listening reading and then doing. Regular practice is necessary. As new hydrogen applications are commercialized additional responder training may be necessary. This highlights another obstacle emergency responders’ ability to travel distances and take the time to undergo training. Historically fire academies established adjunct instructor programs and satellite academies to bring the training to firefighters. The large well-equipped academies are typically used for specialized training. States rarely have enough instructors and instructors often must take the time to create a course outline research each point and produce a program that is informative useful and holds the attention of responders. The challenge of training emergency responders seems next to impossible but public safety authorities are asked to tackle the impossible every day and a model exists to move forward in the U.S. Over the past few years the National Association of State Fire Marshals and U.S. Department of Transportation enlisted the help of emergency responders and industry to create a standardized approach to train emergency responders to deal with pipeline incidents. A curriculum and training materials were created and more than 26000 sets have been distributed for free to public safety agencies nationwide. More than 8000 instructors have been trained to use these materials that are now part of the regular training in 23 states. Using this model HELP intends to ensure that all emergency responders are trained to address hydrogen risks. The model and the rigorous scenario analysis and review used to developing the operational and technical training is addressed in this paper.
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.
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.
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.
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.
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.
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.
Estimation of Final Hydrogen Temperature From Refueling Parameters
Oct 2015
Publication
Compressed hydrogen storage is currently widely used in fuel cell vehicles due to its simplicity in tank structure and refuelling process. For safety reason the final gas temperature in the hydrogen tank during vehicle refuelling must be maintained under a certain limit e.g. 85 °C. Many experiments have been performed to find the relations between the final gas temperature in the hydrogen tank and refueling conditions. The analytical solution of the hydrogen temperature in the tank can be obtained from the simplified thermodynamic model of a compressed hydrogen storage tank and it serves as function formula to fit experimental temperatures. From the analytical solution the final hydrogen temperature can be expressed as a weighted average form of initial temperature inflow temperature and ambient temperature inspired by the rule of mixtures. The weighted factors are related to other refuelling parameters such as initial mass initial pressure refuelling time refuelling mass rate average pressure ramp rate (APRR) final mass final pressure etc. The function formula coming from the analytical solution of the thermodynamic model is more meaningful physically and more efficient mathematically in fitting experimental temperatures. The simple uniform formula inspired by the concept of the rule of mixture and its weighted factors obtained from the analytical solution of lumped parameter thermodynamics model is representatively used to fit the experimental and simulated results in publication. Estimation of final hydrogen temperature from refuelling parameters based on the rule of mixtures is simple and practical for controlling the maximum temperature and for ensuring hydrogen safety during fast filling process.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
Humidity Tolerant Hydrogen-oxygen Recombination Catalysts for Hydrogen Safety Applications
Sep 2017
Publication
Catalytic hydrogen-oxygen recombination is a non-traditional method to limit hydrogen accumulation and prevent combustion in the hydrogen industry. Outside of conventional use in the nuclear power industry this hydrogen safety technology can be applied when traditional hydrogen mitigation methods (i.e. active and natural ventilation) are not appropriate or when a back-up system is required. In many of these cases it is desirable for hydrogen to be removed without the use of power or other services which makes catalytic hydrogen recombination attractive. Instances where catalytic recombination of hydrogen can be utilized as a stand-alone or back-up measure to prevent hydrogen accumulation include radioactive waste storage (hydrogen generated from water radiolysis or material corrosion) battery rooms hydrogen-cooled generators hydrogen equipment enclosures etc.<br/>Water tolerant hydrogen-oxygen recombiner catalysts for non-nuclear applications have been developed at Canadian Nuclear Laboratories (CNL) through a program in which catalyst materials were selected prepared and initially tested in a spinning-basket type reactor to benchmark the catalyst’s performance with respect to hydrogen recombination in dry and humid conditions. Catalysts demonstrating high activity for hydrogen recombination were then selected and tested in trickle-bed and gas phase recombiner systems to determine their performance in more typical deployment conditions. Future plans include testing of selected catalysts after exposure to specific poisons to determine the catalysts’ tolerance for such poisons.
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.
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.
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.
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