Netherlands

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.

The utilization of the captured CO2 as a carbon source for the production of energy storage media offers a technological solution for overcoming crucial issues in current energy systems. Solar energy production generally does not match with energy demand because of its intermittent and non-programmable nature entailing the adoption of storage technologies. Hydrogen constitutes a chemical storage for renewable electricity if it is produced by water electrolysis and is also the key reactant for CO2 methanation (Sabatier reaction). The utilization of CO2 as a feedstock for producing methane contributes to alleviate global climate changes and sequestration related problems. The produced methane is a carbon neutral gas that fits into existing infrastructure and allows issues related to the aforementioned intermittency and non-programmability of solar energy to be overcome. In this paper an experimental apparatus composed of an electrolyzer and a tubular fixed bed reactor is built and used to produce methane via Sabatier reaction. The objective of the experimental campaign is the evaluation of the process performance and a comparison with other CO2 valorization paths such as methanol production. The investigated pressure range was 2–20 bar obtaining a methane volume fraction in outlet gaseous mixture of 64.75% at 8 bar and 97.24% at 20 bar with conversion efficiencies of respectively 84.64% and 99.06%. The methanol and methane processes were compared on the basis of an energy parameter defined as the spent energy/stored energy. It is higher for the methanol process (0.45) with respect to the methane production process (0.41–0.43) which has a higher energy storage capability.

In this analysis life cycle environmental burdens and total costs of ownership (TCO) of current (2017) and future (2040) passenger cars with different powertrain configurations are compared. For all vehicle configurations probability distributions are defined for all performance parameters. Using these a Monte Carlo based global sensitivity analysis is performed to determine the input parameters that contribute most to overall variability of results. To capture the systematic effects of the energy transition future electricity scenarios are deeply integrated into the ecoinvent life cycle assessment background database. With this integration not only the way how future electric vehicles are charged is captured but also how future vehicles and batteries are produced. If electricity has a life cycle carbon content similar to or better than a modern natural gas combined cycle powerplant full powertrain electrification makes sense from a climate point of view and in many cases also provides reductions in TCO. In general vehicles with smaller batteries and longer lifetime distances have the best cost and climate performance. If a very large driving range is required or clean electricity is not available hybrid powertrain and compressed natural gas vehicles are good options in terms of both costs and climate change impacts. Alternative powertrains containing large batteries or fuel cells are the most sensitive to changes in the future electricity system as their life cycles are more electricity intensive. The benefits of these alternative drivetrains are strongly linked to the success of the energy transition: the more the electricity sector is decarbonized the greater the benefit of electrifying passenger vehicles.

The paper presents an overview of the main achievements of the internal project InsHyde of the HySafe NoE. The scope of InsHyde was to investigate realistic small-medium indoor hydrogen leaks and provide recommendations for the safe use/storage of indoor hydrogen systems. Additionally InsHyde served to integrate proposals from HySafe work packages and existing external research projects towards a common effort. Following a state of the art review InsHyde activities expanded into experimental and simulation work. Dispersion experiments were performed using hydrogen and helium at the INERIS gallery facility to evaluate short and long term dispersion patterns in garage like settings. A new facility (GARAGE) was built at CEA and dispersion experiments were performed there using helium to evaluate hydrogen dispersion under highly controlled conditions. In parallel combustion experiments were performed by FZK to evaluate the maximum amount of hydrogen that could be safely ignited indoors. The combustion experiments were extended later on by KI at their test site by considering the ignition of larger amounts of hydrogen in obstructed environments outdoors. An evaluation of the performance of commercial hydrogen detectors as well as inter-lab calibration work was jointly performed by JRC INERIS and BAM. Simulation work was as intensive as the experimental work with participation from most of the partners. It included pre-test simulations validation of the available CFD codes against previously performed experiments with significant CFD code inter-comparisons as well as CFD application to investigate specific realistic scenarios. Additionally an evaluation of permeation issues was performed by VOLVO CEA NCSRD and UU by combining theoretical computational and experimental approaches with the results being presented to key automotive regulations and standards groups. Finally the InsHyde project concluded with a public document providing initial guidance on the use of hydrogen in confined spaces.

This paper introduces a risk-based methodology for hydrogen refuelling stations. Momentarily four stations are present in the Netherlands. This number is expected to increase to around twenty in the next years. For these stations a quantitative risk analysis (QRA) must be carried out to account for spatial planning. The presented method identifies the loss of containment scenarios and failure frequencies. Additionally the results of this study may be used in legislative context in the form of fixed generic safety distances. Using the risk analysis tool Safeti-NL safety distances are determined for three different kinds of hydrogen refuelling stations distinguished by the supply method of the hydrogen. For the hydrogen refuelling stations a maximum safety distance of 35 m is calculated. However despite the relatively small safety distances the maximum effect distances (distance to 1% lethality) can be very large especially for stations with a supply and storage of liquid hydrogen. The research was overseen by an advisory committee which also provided technical information on the refuelling stations.

Hydrogen technologies are expected to play a key role in implementing the transition from a fossil fuel- based to a more sustainable lower-carbon energy system. To facilitate their widespread deployment the safe operation and hydrogen systems needs to be ensured together with the evaluation of the associated risk.<br/>HIAD has been designed to be a collaborative and communicative web-based information platform holding high quality information of accidents and incidents related to hydrogen technologies. The main goal of HIAD was to become not only a standard industrial accident database but also an open communication platform suitable for safety lessons learned and risk communication as well as a potential data source for risk assessment; it has been set up to improve the understanding of hydrogen unintended events to identify measures and strategies to avoid incidents/accidents and to reduce the consequence if an accident occurs.<br/>In order to achieve that goal the data collection is characterized by a significant degree of detail and information about recorded events (e.g. causes physical consequences lesson learned). Data are related not only to real incident and accidents but also to hazardous situations.<br/>The concept of a hydrogen accident database was generated in the frame of the project HySafe an EC co-funded NoE of the 6th Frame Work Programme. HIAD was built by EC-JRC and populated by many HySafe partners. After the end of the project the database has been maintained and populated by JRC with publicly available events. The original idea was to provide a tool also for quantitative risk assessment able to conduct simple analyses of the events; unfortunately that goal could not be reached because of a lack of required statistics: it was not possible to establish a link with potential event providers coming from private sector not willing to share information considered confidential. Starting from June 2016 JRC has been developing a new version of the database (i.e. HIAD 2.0); the structure of the database and the web-interface have been redefined and simplified resulting in a streamlined user interface compared to the previous version of HIAD. The new version is mainly focused to facilitate the sharing of lessons learned and other relevant information related to hydrogen technology; the database will be public and the events will be anonymized. The database will contribute to improve the safety awareness fostering the users to benefit from the experiences of others as well as to share information from their own experiences.

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.

On October 16-17 2012 the International Association for Hydrogen Safety (HySafe) in cooperation with the Institute for Energy and Transport of the Joint Research Centre of the European Commission (JRC IET Petten) held a two-day workshop dedicated to Hydrogen Safety Research Priorities. The workshop was hosted by Federal Institute for Materials Research and Testing (BAM) in Berlin Germany. The main idea of the Workshop was to bring together stakeholders who can address the existing knowledge gaps in the area of the hydrogen safety including identification and prioritization of such gaps from the standpoint of scientific knowledge both experimental and theoretical including numerical. The experience highlighting these gaps which was obtained during both practical applications (industry) and risk assessment should serve as reference point for further analysis. The program included two sections: knowledge gaps as they are addressed by industry and knowledge gaps and state-of-the-art by research. In the current work the main results of the workshop are summarized and analysed.

A benchmarking exercise on quantitative risk assessment (QRA) methodologies has been conducted within the project HyQRA under the framework of the European Network of Excellence (NoE) HySafe. The aim of the exercise was basically twofold: (i) to identify the differences and similarities in approaches in a QRA and their results for a hydrogen installation between nine participating partners representing a broad spectrum of background in QRA culture and history and (ii) to identify knowledge gaps in the various steps and parameters underlying the risk quantification. In the first step a reference case was defined: a virtual hydrogen refuelling station (HRS) in virtual surroundings comprising housing school shops and other vulnerable objects. All partners were requested to conduct a QRA according to their usual approach and experience. Basically participants were free to define representative release cases to apply models and frequency assessments according their own methodology and to present risk according to their usual format. To enable inter-comparison a required set of results data was prescribed like distances to specific thermal radiation levels from fires and distances to specific overpressure levels. Moreover complete documentation of assumptions base data and references was to be reported. It was not surprising that a wide range of results was obtained both in the applied approaches as well as in the quantitative outcomes and conclusions. This made it difficult to identify exactly which assumptions and parameters were responsible for the differences in results as the paper will show. A second phase was defined in which the QRA was determined by a more limited number of release cases (scenarios). The partners in the project agreed to assess specific scenarios in order to identify the differences in consequence assessment approaches. The results of this phase provide a better understanding of the influence of modelling assumptions and limitations on the eventual conclusions with regard to risk to on-site people and to the off-site public. This paper presents the results and conclusions of both stages of the exercise.

This work presents the results of the Standard Benchmark Exercise Problem (SBEP) V20 of Work Package 6 (WP6) of HySafe Network of Excellence (NoE) co-funded by the European Commission in the frame of evaluating the quality and suitability of codes models and user practices by comparative assessments of code results. The benchmark problem SBEP-V20 covers release scenarios that were experimentally investigated in the past using helium as a substitute to hydrogen. The aim of the experimental investigations was to determine the ventilation requirements for parking hydrogen fuelled vehicles in residential garages. Helium was released under the vehicle for 2 h with 7.200 l/h flow rate. The leak rate corresponded to a 20% drop of the peak power of a 50 kW fuel cell vehicle. Three double vent garage door geometries are considered in this numerical investigation. In each case the vents are located at the top and bottom of the garage door. The vents vary only in height. In the first case the height of the vents is 0.063 m in the second 0.241 m and in the third 0.495 m. Four HySafe partners participated in this benchmark. The following CFD packages with the respective models were applied to simulate the experiments: ADREA-HF using k–ɛ model by partner NCSRD FLACS using k–ɛ model by partner DNV FLUENT using k–ɛ model by partner UPM and CFX using laminar and the low-Re number SST model by partner JRC. This study compares the results predicted by the partners to the experimental measurements at four sensor locations inside the garage with an attempt to assess and validate the performance of the different numerical approaches.