DEVELOPMENT OF SIMULATION TOOLS FOR THE DESIGN OF HYDROGEN RESERVOIRS

氢是宇宙中最丰富的元素，作为一种能量载体具有巨大的潜力，并且具有许多环境优势。氢气可以很容易地从可再生能源中产生，例如，光伏、风能或水电，使用电解槽，它是一种无碳可燃物。这就是为什么氢燃料电池和内燃机汽车被开发为清洁、高效、先进的未来汽车运输技术。开发足够的车载储能系统是引入氢燃料汽车的主要经济和技术障碍。为了在此类车辆上储存足够数量的氢气，正在探索固体材料，如金属氢化物（MH）、活性炭（AC）、金属氧化物框架（MOF）和其他介质作为储存的一种选择。在这些材料中，氢的吸附是放热过程，而解吸是吸热过程。因此，这意味着基于固气相互作用的高效储氢库的开发将需要彻底了解这些储存材料中的传热传质过程，以便在储氢库中实现氢气的充注和释放速率，尽可能接近这些材料的内在动力学。此外，几乎任何规模和容量的水库的建造成本都排除了建造许多水库以找到储存床和换热元件的最佳配置。因此，研究这类储氢系统的唯一可行方法是通过计算机模拟。拟议的项目旨在开发能够评估储氢系统性能的工具。这些工具将以这样一种方式设计，即它们将易于适应不同类型的储层几何形状，并且足够通用，以考虑氢和固体储存材料之间的不同反应机制。该项目的目标是优化水库不同元素的配置。

Hydrogen, the most abundant element in the universe, has great potential as an energy carrier and it has many environmental advantages. Hydrogen can be easily generated from renewable energy sources, for example, photovoltaic, wind or hydro, with electrolysers and it is a carbon free combustible. It is why hydrogen-fueled fuel cell and internal combustion engine vehicles are being developed as clean, efficient, advanced technologies for the automotive transportation of the future. The development of adequate on-board energy storage is a major economic and technological barrier to introducing hydrogen vehicles. For the storage of adequate amount of hydrogen on-board such vehicles, solid materials such as metal hydrides (MH), activated carbon (AC), metal oxide frameworks (MOF) and other media are being explored as one option of storing. Sorption of hydrogen in these materials is an exothermic process while desorption is endothermic. It therefore means that the development of efficient hydrogen reservoirs based on solid-gas interactions will require a thorough understanding of the heat and mass transfer processes in those storing materials in order to achieve, in the reservoirs, rates of filling and release of hydrogen as close as possible from the intrinsic kinetics of those materials. Moreover, the cost of construction of a reservoir of almost any size and capacity precludes building many reservoirs in order to find the optimal configuration of the storing beds and heat exchanging elements. Therefore, the only practical way of studying these kinds of hydrogen storing systems is through computer simulation. The proposed project intends to develop tools that would permit to estimate the performances of hydrogen storing systems. These tools will be designed in such a way that they will be easy to adapt to different kinds of reservoir geometry and versatile enough to take into account different reaction mechanisms between hydrogen and the solid storing materials. The goal of the project would to optimize the configurations of the different elements of the reservoir.