Netherlands
A Review of Recent Developments in Molecular Dynamics Simulations of the Photoelectrochemical Water Splitting Process
Jun 2021
Publication
In this review we provide a short overview of the Molecular Dynamics (MD) method and how it can be used to model the water splitting process in photoelectrochemical hydrogen production. We cover classical non-reactive and reactive MD techniques as well as multiscale extensions combining classical MD with quantum chemical and continuum methods. Selected examples of MD investigations of various aqueous semiconductor interfaces with a special focus on TiO2 are discussed. Finally we identify gaps in the current state-of-the-art where further developments will be needed for better utilization of MD techniques in the field of water splitting.
Evaluation of Selectivity and Resistance to Poisons of Commercial Hydrogen Sensors
Sep 2013
Publication
The development of reliable hydrogen sensors is crucial for the safe use of hydrogen. One of the main concerns of end-users is sensor reliability in the presence of species other than the target gas which can lead to false alarms or undetected harmful situations. In order to assess the selectivity of commercial of the shelf (COTS) hydrogen sensors a number of sensors of different technology types were exposed to various interferent gas species. Cross-sensitivity tests were performed in accordance to the recommendations of ISO 26142:2010 using the hydrogen sensor testing facilities of NREL and JRC-IET. The results and conclusions arising from this study are presented.
Analysis of Hydrogen-powered Propulsion System Alternatives for Diesel-electric Regional Trains
Aug 2022
Publication
Non-electrified regional railway lines with typically employed diesel-electric multiple units require alternative propulsion systems to meet increasingly strict emissions regulations. With the aim to identify an optimal alternative to conventional diesel traction this paper presents a model-based assessment of hydrogen-powered propulsion systems with an internal combustion engine or fuel cells as the prime mover combined with different energy storage system configurations based on lithium-ion batteries and/or double-layer capacitors. The analysis encompasses technology identification design modelling and assessment of alternative powertrains explicitly considering case-related constraints imposed by the infrastructure technical and operational requirements. Using a regional railway network in the Netherlands as a case we investigate the possibilities in converting a conventional benchmark vehicle and provide the railway undertaking and decision-makers with valuable input for planning of future rolling stock investments. The results indicate the highest fuel-saving potential for fuel cell-based hybrid propulsion systems with lithium-ion battery or a hybrid energy storage system that combines both energy storage system technologies. The two configurations also demonstrate the highest reduction of greenhouse gas emissions compared to the benchmark diesel-driven vehicle by about 25% for hydrogen produced by steam methane reforming and about 19% for hydrogen obtained from electrolysis of water with grey electricity.
Photocatalytic Hydrogen Production by Photo-Reforming of Methanol with One-pot Synthesized Pt-containing TiO2 Photocatalysts
Jul 2019
Publication
Functionalization of semiconductors by metallic nanoparticle is considered to be one of the most effective procedure to improve photocatalytic hydrogen production. Photodeposition is frequently used for functionalization but particle sizes and dispersions are still difficult to control. Here Pt functionalization is achieved in a one-pot synthesis. The as-prepared samples are compared to reference materials prepared by conventional photodeposition and our results confirm that small and well-dispersed nanoparticles with superior stability are obtained by one-pot synthesis. The enhanced stability is attributed to a limited leaching of Pt nanoparticles during illumination likely caused by the preferable interaction of small well dispersed Pt nanoparticles with the TiO2 support material. In addition our results demonstrate that Na-residues are detrimental for the photocatalytic performance and washing in acidic solution is mandatory to effectively reduce the sodium contamination.
Overview of First Outcomes of PNR Project HYTUNNEL-CS
Sep 2021
Publication
Dmitry Makarov,
Donatella Cirrone,
Volodymyr V. Shentsov,
Sergii Kashkarov,
Vladimir V. Molkov,
Z. Xu,
Mike Kuznetsov,
Alexandros G. Venetsanos,
Stella G. Giannissi,
Ilias C. Tolias,
Knut Vaagsaether,
André Vagner Gaathaug,
Mark R. Pursell,
Wayne M. Rattigan,
Frank Markert,
Luisa Giuliani,
L.S. Sørensen,
A. Bernad,
Mercedes Sanz Millán,
U. Kummer,
Christian Brauner,
Paola Russo,
J. van den Berg,
F. de Jong,
Tom Van Esbroeck,
M. Van De Veire,
Didier Bouix,
Gilles Bernard-Michel,
Sergey Kudriakov,
Etienne Studer,
Domenico Ferrero,
Joachim Grüne and
G. Stern
The paper presents the first outcomes of the experimental numerical and theoretical studies performed in the funded by Fuel Cell and Hydrogen Joint Undertaking (FCH2 JU) project HyTunnel-CS. The project aims to conduct pre-normative research (PNR) to close relevant knowledge gaps and technological bottlenecks in the provision of safety of hydrogen vehicles in underground transportation systems. Pre normative research performed in the project will ultimately result in three main outputs: harmonised recommendations on response to hydrogen accidents recommendations for inherently safer use of hydrogen vehicles in underground traffic systems and recommendations for RCS. The overall concept behind this project is to use inter-disciplinary and inter-sectoral prenormative research by bringing together theoretical modelling and experimental studies to maximise the impact. The originality of the overall project concept is the consideration of hydrogen vehicle and underground traffic structure as a single system with integrated safety approach. The project strives to develop and offer safety strategies reducing or completely excluding hydrogen-specific risks to drivers passengers public and first responders in case of hydrogen vehicle accidents within the currently available infrastructure.
Supporting Hydrogen Technologies Deployment in EU Regions and Member States: The Smart Specialisation Platform on Energy (S3PEnergy)
May 2018
Publication
In order to maximise European national and regional research and innovation potential the European Union is investing in these fields through different funding mechanisms such as the ESIF or H2020 programme. This investment plan is part of the European 2020 strategy where the concept of Smart Specialisation is also included.<br/>Smart Specialisation is an innovation policy concept designed to promote the efficient and effective use of public investment in regional innovation in order to achieve economic growth. The Smart Specialisation Platform was created to support this concept by assisting regions and Member States in developing implementing and reviewing their research and innovation Smart Specialisation strategies.<br/>The Smart Specialisation Platform comprises several thematic platforms. The thematic Smart Specialisation Platform on energy (S3PEnergy) is a joint initiative of three European Commission services: DG REGIO DG ENER and the Joint Research Centre (JRC). The main objective of the S3PEnergy is to support the optimal and effective uptake of the Cohesion Policy funds for energy and to better align energy innovation activities at national local and regional level through the identification of the technologies and innovative solutions that support in the most cost-effective way the EU energy policy priorities.<br/>In the particular case of hydrogen technologies the activities of the platform are mainly focused on supporting the new Fuel Cells and Hydrogen Joint Undertaking (FCH JU) initiative involving regions and cities. To date more than 80 European cities and regions have committed to participate in this initiative through the signature of a Memorandum of Understanding and more participants are expected to join. S3PEnergy is helping in the identification of potential combination of H2020 funding (provided through FCH JU) and ESIF.<br/>To identify potential synergies among these two funding sources a mapping of the different ESIF opportunities has been performed. In order to map these opportunities Operational Programmes (OPs) and research and innovation strategies for Smart Specialisation (RIS3) of the different European regions and Member States were analysed. The results of this mapping and analysis are presented in this paper."
Expectations as a Key to Understanding Actor Strategies in the Field of Fuel Cell and Hydrogen Vehicles
Feb 2012
Publication
Due to its environmental impact the mobility system is increasingly under pressure. The challenges to cope with climate change air quality depleting fossil resources imply the need for a transition of the current mobility system towards a more sustainable one. Expectations and visions have been identified as crucial in the guidance of such transitions and more specifically of actor strategies. Still it remained unclear why the actors involved in transition activities appear to change their strategies frequently and suddenly. The empirical analysis of the expectations and strategies of three actors in the field of hydrogen and fuel cell technology indicates that changing actor strategies can be explained by rather volatile expectations related to different levels. Our case studies of the strategies of two large car manufacturers and the German government demonstrate that the car manufacturers refer strongly to expectations about the future regime while expectations related to the socio-technical landscape level appear to be crucial for the strategy of the German government.
Development of Risk Mitigation Guidance for Sensor Placement Inside Mechanically Ventilated Enclosures – Phase 1
Sep 2019
Publication
Guidance on Sensor Placement was identified as the top research priority for hydrogen sensors at the 2018 HySafe Research Priority Workshop on hydrogen safety in the category Mitigation Sensors Hazard Prevention and Risk Reduction. This paper discusses the initial steps (Phase 1) to develop such guidance for mechanically ventilated enclosures. This work was initiated as an international collaborative effort to respond to emerging market needs related to the design and deployment equipment for hydrogen infrastructure that is often installed in individual equipment cabinets or ventilated enclosures. The ultimate objective of this effort is to develop guidance for an optimal sensor placement such that when integrated into a facility design and operation will allow earlier detection at lower levels of incipient leaks leading to significant hazard reduction. Reliable and consistent early warning of hydrogen leaks will allow for the risk mitigation by reducing or even eliminating the probability of escalation of small leaks into large and uncontrolled events. To address this issue a study of a real-world mechanically ventilated enclosure containing GH2 equipment was conducted where CFD modelling of the hydrogen dispersion (performed by AVT and UQTR and independently by the JRC) was validated by the NREL Sensor laboratory using a Hydrogen Wide Area Monitor (HyWAM) consisting of a 10-point gas and temperature measurement analyzer. In the release test helium was used as a hydrogen surrogate. Expansion of indoor releases to other larger facilities (including parking structures vehicle maintenance facilities and potentially tunnels) and incorporation into QRA tools such as HyRAM is planned for Phase 2. It is anticipated that results of this work will be used to inform national and international standards such as NFPA 2 Hydrogen Technologies Code Canadian Hydrogen Installation Code (CHIC) and relevant ISO/TC 197 and CEN documents.
A Review at the Role of Storage in Energy Systems with a Focus on Power to Gas and Long-term Storage
Aug 2017
Publication
A review of more than 60 studies (plus m4ore than 65 studies on P2G) on power and energy models based on simulation and optimization was done. Based on these for power systems with up to 95% renewables the electricity storage size is found to be below 1.5% of the annual demand (in energy terms). While for 100% renewables energy systems (power heat mobility) it can remain below 6% of the annual energy demand. Combination of sectors and diverting the electricity to another sector can play a large role in reducing the storage size. From the potential alternatives to satisfy this demand pumped hydro storage (PHS) global potential is not enough and new technologies with a higher energy density are needed. Hydrogen with more than 250 times the energy density of PHS is a potential option to satisfy the storage need. However changes needed in infrastructure to deal with high hydrogen content and the suitability of salt caverns for its storage can pose limitations for this technology. Power to Gas (P2G) arises as possible alternative overcoming both the facilities and the energy density issues. The global storage requirement would represent only 2% of the global annual natural gas production or 10% of the gas storage facilities (in energy equivalent). The more options considered to deal with intermittent sources the lower the storage requirement will be. Therefore future studies aiming to quantify storage needs should focus on the entire energy system including technology vectors (e.g. Power to Heat Liquid Gas Chemicals) to avoid overestimating the amount of storage needed.
Efficient Hydrogen Storage in Defective Graphene and its Mechanical Stability: A Combined Density Functional Theory and Molecular Dynamics Simulation Study
Dec 2020
Publication
A combined density functional theory and molecular dynamics approach is employed to study modifications of graphene at atomistic level for better H2 storage. The study reveals H2 desorption from hydrogenated defective graphene structure V222 to be exothermic. H2 adsorption and desorption processes are found to be more reversible for V222 as compared to pristine graphene. Our study shows that V222 undergoes brittle fracture under tensile loading similar to the case of pristine graphene. The tensile strength of V222 shows slight reduction with respect to their pristine counterpart which is attributed to the transition of sp2 to sp3-like hybridization. The study also shows that the V222 structure is mechanically more stable than the defective graphene structure without chemically adsorbed hydrogen atoms. The current fundamental study thus reveals the efficient recovery mechanism of adsorbed hydrogen from V222 and paves the way for the engineering of structural defects in graphene for H2 storage.
Quantitative Risk Analysis of a Hazardous Jet Fire Event for Hydrogen Transport in Natural Gas Transmission Pipelines
Jan 2021
Publication
With the advent of large-scale application of hydrogen transportation becomes crucial. Reusing the existing natural gas transmission system could serve as catalyst for the future hydrogen economy. However a risk analysis of hydrogen transmission in existing pipelines is essential for the deployment of the new energy carrier. This paper focuses on the individual risk (IR) associated with a hazardous hydrogen jet fire and compares it with the natural gas case. The risk analysis adopts a detailed flame model and state of the art computational software to provide an enhanced physical description of flame characteristics.<br/>This analysis concludes that hydrogen jet fires yield lower lethality levels that decrease faster with distance than natural gas jet fires. Consequently for large pipelines hydrogen transmission is accompanied by significant lower IR. Howbeit ignition effects increasingly dominate the IR for decreasing pipeline diameters and cause hydrogen transmission to yield increased IR in the vicinity of the pipeline when compared to natural gas.
Beyond Haber-Bosch: The Renaissance of the Claude Process
Apr 2021
Publication
Ammonia may be one of the energy carriers in the hydrogen economy. Although research has mostly focused on electrochemical ammonia synthesis this however remains a scientific challenge. In the current article we discuss the feasibility of single-pass thermochemical ammonia synthesis as an alternative to the high-temperature high-pressure Haber-Bosch synthesis loop. We provide an overview of recently developed low temperature ammonia synthesis catalysts as well as an overview of solid ammonia sorbents. We show that the low temperature low pressure single-pass ammonia synthesis process can produce ammonia at a lower cost than the Haber-Bosch synthesis loop for small-scale ammonia synthesis (<40 t-NH3 d−1).
CFD Simulations of Filling and Emptying of Hydrogen Tanks
Jun 2016
Publication
During the filling of hydrogen tanks high temperatures can be generated inside the vessel because of the gas compression while during the emptying low temperatures can be reached because of the gas expansion. The design temperature range goes from −40 °C to 85 °C. Temperatures outside that range could affect the mechanical properties of the tank materials. CFD analyses of the filling and emptying processes have been performed in the HyTransfer project. To assess the accuracy of the CFD model the simulation results have been compared with new experimental data for different filling and emptying strategies. The comparison between experiments and simulations is shown for the temperatures of the gas inside the tank for the temperatures at the interface between the liner and the composite material and for the temperatures on the external surface of the vessel.
Permeation Tests in Type-approval Regulations for Hydrogen Fuelled Vehicles: Analysis and Testing Experiences at the JRC-GASTEF Facility
Jan 2023
Publication
This article presents an analysis of the permeation tests established in the current regulations for the type-approval of on board tanks in hydrogen vehicles. The analysis is done from the point of view of a test maker regarding the preparation for the execution of a permeation test. The article contains a description of the required instrumentation and set-up to carry out a permeation test according to the applicable standards and regulations. Tank conditions at the beginning of the test configuration of permeation chamber duration of the test or permeation rate to be reported are aspects that are not well-defined in regulations. In this paper we examine the challenges when carrying out a permeation test and propose possible solutions to overcome them with the intention of supporting test makers and helping the development of permeation test guidelines.
Review and Survey of Methods for Analysis of Impurities in Hydrogen for Fuel Cell Vehicles According to ISO 14687:2019
Feb 2021
Publication
Gaseous hydrogen for fuel cell electric vehicles must meet quality standards such as ISO 14687:2019 which contains maximal control thresholds for several impurities which could damage the fuel cells or the infrastructure. A review of analytical techniques for impurities analysis has already been carried out by Murugan et al. in 2014. Similarly this document intends to review the sampling of hydrogen and the available analytical methods together with a survey of laboratories performing the analysis of hydrogen about the techniques being used. Most impurities are addressed however some of them are challenging especially the halogenated compounds since only some halogenated compounds are covered not all of them. The analysis of impurities following ISO 14687:2019 remains expensive and complex enhancing the need for further research in this area. Novel and promising analyzers have been developed which need to be validated according to ISO 21087:2019 requirements.
Flexible Power and Biomass-To-Methanol Plants With Different Gasification Technologies
Jan 2022
Publication
The competitiveness of biofuels may be increased by integrating biomass gasification plants with electrolysis units which generate hydrogen to be combined with carbon-rich syngas. This option allows increasing the yield of the final product by retaining a higher amount of biogenic carbon and improving the resilience of the energy sector by favoring electric grid services and sector coupling. This article illustrates a techno-economic comparative analysis of three flexible power and biomass to methanol plants based on different gasification technologies: direct gasification indirect gasification and sorptionenhanced gasification. The design and operational criteria of each plant are conceived to operate both without green hydrogen addition (baseline mode) and with hydrogen addition (enhanced mode) following an intermittent use of the electrolysis system which is turned on when the electricity price allows an economically viable hydrogen production. The methanol production plants include a gasification section syngas cleaning conditioning and compression section methanol synthesis and purification and heat recovery steam cycle to be flexibly operated. Due to the high oxygen demand in the gasifier the direct gasification-based plant obtains a great advantage to be operated between a minimum load to satisfy the oxygen demand at high electricity prices and a maximum load to maximize methanol production at low electricity prices. This allows avoiding large oxygen storages with significant benefits for Capex and safety issues. The analysis reports specific fixed-capital investments between 1823 and 2048 €/kW of methanol output in the enhanced operation and LCOFs between 29.7 and 31.7 €/GJLHV. Economic advantages may be derived from a decrease in the electrolysis capital investment especially for the direct gasification-based plants which employ the greatest sized electrolyzer. Methanol breakeven selling prices range between 545 and 582 €/t with the 2019 reference Denmark electricity price curve and between 484 and 535 €/t with an assumed modified electricity price curve of a future energy mix with increased penetration of intermittent renewables.
Exploring Supply Chain Design and Expansion Planning of China's Green Ammonia Production with an Optimization-based Simulation Approach
Aug 2021
Publication
Green ammonia production as an important application for propelling the upcoming hydrogen economy has not been paid much attention by China the world's largest ammonia producer. As a result related studies are limited. This paper explores potential supply chain design and planning strategies of green ammonia production in the next decade of China with a case study in Inner Mongolia. A hybrid optimization-based simulation approach is applied considering traditional optimization approaches are insufficient to address uncertainties and dynamics in a long-term energy transition. Results show that the production cost of green ammonia will be at least twice that of the current level due to higher costs of hydrogen supply. Production accounts for the largest share of the total expense of green hydrogen (~80 %). The decline of electricity and electrolyser prices are key in driving down the overall costs. In addition by-product oxygen is also considered in the model to assess its economic benefits. We found that by-product oxygen sales could partly reduce the total expense of green hydrogen (~12 % at a price of USD 85/t) but it also should be noted that the volatile price of oxygen may pose uncertainties and risks to the effectiveness of the offset. Since the case study may represent the favourable conditions in China due to the abundant renewable energy resources and large-scale ammonia industry in this region we propose to take a moderate step towards green ammonia production and policies should be focused on reducing the electricity price and capital investments in green hydrogen production. We assume the findings and implications are informative to planning future green ammonia production in China.
Exploring the Possibility of Using Molten Carbonate Fuel Cell for the Flexible Coproduction of Hydrogen and Power
Sep 2021
Publication
Fuel cells are electrochemical devices that are conventionally used to convert the chemical energy of fuels into electricity while producing heat as a byproduct. High temperature fuel cells such as molten carbonate fuel cells and solid oxide fuel cells produce significant amounts of heat that can be used for internal reforming of fuels such as natural gas to produce gas mixtures which are rich in hydrogen while also producing electricity. This opens up the possibility of using high temperature fuel cells in systems designed for flexible coproduction of hydrogen and power at very high system efficiency. In a previous study the flowsheet software Cycle-Tempo has been used to determine the technical feasibility of a solid oxide fuel cell system for flexible coproduction of hydrogen and power by running the system at different fuel utilization factors (between 60 and 95%). Lower utilization factors correspond to higher hydrogen production while at a higher fuel utilization standard fuel cell operation is achieved. This study uses the same basis to investigate how a system with molten carbonate fuel cells performs in identical conditions also using Cycle-Tempo. A comparison is made with the results from the solid oxide fuel cell study.
Benefits of an Integrated Power and Hydrogen Offshore Grid in a Net-zero North Sea Energy System
Jun 2022
Publication
The North Sea Offshore Grid concept has been envisioned as a promising alternative to: 1) ease the integration of offshore wind and onshore energy systems and 2) increase the cross-border capacity between the North Sea region countries at low cost. In this paper we explore the techno-economic benefits of the North Sea Offshore Grid using two case studies: a power-based offshore grid where only investments in power assets are allowed (i.e. offshore wind HVDC/HVAC interconnectors); and a power-and-hydrogen offshore grid where investments in offshore hydrogen assets are also permitted (i.e. offshore electrolysers new hydrogen pipelines and retrofitted natural gas pipelines). In this paper we present a novel methodology in which extensive offshore spatial data is analysed to define meaningful regions via data clustering. These regions are incorporated to the Integrated Energy System Analysis for the North Sea region (IESA-NS) model. In this optimization model the scenarios are run without any specific technology ban and under open optimization. The scenario results show that the deployment of an offshore grid provides relevant cost savings ranging from 1% to 4.1% of relative cost decrease (2.3 bn € to 8.7 bn €) in the power-based and ranging from 2.8% to 7% of relative cost decrease (6 bn € to 14.9 bn €) in the power-and-hydrogen based. In the most extreme scenario an offshore grid permits to integrate 283 GW of HVDC connected offshore wind and 196 GW of HVDC meshed interconnectors. Even in the most conservative scenario the offshore grid integrates 59 GW of HVDC connected offshore wind capacity and 92 GW of HVDC meshed interconnectors. When allowed the deployment of offshore electrolysis is considerable ranging from 61 GW to 96 GW with capacity factors of around 30%.
A Green Hydrogen Energy System: Optimal Control Strategies for Integrated Hydrogen Storage and Power Generation with Wind Energy
Jul 2022
Publication
The intermittent nature of renewable energy resources such as wind and solar causes the energy supply to be less predictable leading to possible mismatches in the power network. To this end hydrogen production and storage can provide a solution by increasing flexibility within the system. Stored hydrogen as compressed gas can either be converted back to electricity or it can be used as feed-stock for industry heating for built environment and as fuel for vehicles. This research is the first to examine optimal strategies for operating integrated energy systems consisting of renewable energy production and hydrogen storage with direct gas-based use-cases for hydrogen. Using Markov decision process theory we construct optimal policies for day-to-day decisions on how much energy to store as hydrogen or buy from or sell to the electricity market and on how much hydrogen to sell for use as gas. We pay special emphasis to practical settings such as contractually binding power purchase agreements varying electricity prices different distribution channels green hydrogen offtake agreements and hydrogen market price uncertainties. Extensive experiments and analysis are performed in the context of Northern Netherlands where Europe’s first Hydrogen Valley is being formed. Results show that gains in operational revenues of up to 51% are possible by introducing hydrogen storage units and competitive hydrogen market-prices. This amounts to a e126000 increase in revenues per turbine per year for a 4.5 MW wind turbine. Moreover our results indicate that hydrogen offtake agreements will be crucial in keeping the energy transition on track.
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