System modeling methodology and analyses for materials-based hydrogen storage

In the global efforts to develop advanced materials-based hydrogen storage, the various on-board reversible hydrides, adsorbents and chemical storage candidate materials and systems each have their individual strengths and weaknesses. An overarching challenge in associated research and development is to devise material/system architectures which satisfy all requirements for viability in a particular application area, such as light-duty vehicular transportation. System modeling at the level which encompasses not only the storage material and vessel/reactor, but also integration with a fuel cell and balance-of-plant components, provides a more complete assessment of viability and guides options for improvement. The current work covers the methodology developed for conducting such system modeling consistently across multiple organizations and will present performance results from studies focused on reversible hydride systems. Connecting this high level modeling to more detailed finite element design simulations will be one aspect of our framework approach. The complex hydride NaAlH 4 is representative of novel materials under development and will be used as the basis for properties, such as temperature dependent kinetics, which influence the integrated system configurations and component sizing. While system charging is included through the sizing of certain components, emphasis is placed on hydrogen discharge by the storage system, interrogated through drive cycle transients. Comparisons of performance relative to requirements, including effective gravimetric capacity, effective volumetric density and energy utilization, are given for the baseline material and for a sensitivity study on material density. ► Vehicle simulation framework that allows switching hydrogen storage systems. ► Storage systems share the same vehicle, fuel cell stack, and drive cycle assumptions. ► Test cases: fuel economy, aggressive driving, cold/hot conditions, and dormancy. ► NaAlH 4 model used to illustrate model reduction, simulation, and performance. ► 1:1 LiNH 2:MgH 2 model shows the use of the framework for exploratory work.