Novel metal-organic framework adsorbents for efficient storage of hydrogen

为了实现其气候和能源转型目标，广泛使用氢作为能源载体是欧盟的一项关键优先事项。然而，开发可持续、高效和安全的储氢技术具有挑战性。MOST-H2完全符合HORIZON-CL4-2021-RESILIENCE-01-17的要求，提出了一种集成的多尺度实验室到储罐方法，用于开发、验证和演示创新的低成本低温吸附储氢，使用单片金属有机框架（MOF）吸附剂，具有体积和重量容量的最佳组合，而且环境足迹小。先进的合成策略和复杂的计算技术，包括分子模拟和机器学习，将结合在循环材料开发方法中，以提供新的高性能，可持续设计的MOF吸附剂。主要目的是计算设计，然后合成和实验验证，在低于100 bar的工作压力下，超多孔mof的可用存储容量超过10 wt%和50 g/L。与传统的储氢技术相比，这是朝着更高效、更安全、更具成本效益的储氢解决方案迈出的重要一步。该项目的一个重要部分将致力于开发和升级最佳MOF材料的整体形式，以便轻松集成到专门为此目的设计的低温吸附储罐中，该储罐将在TRL 5环境中进行测试。研究结果，再加上对MOST-H2技术的全生命周期分析和技术经济评估，以及选定的最终用途（铁路和公路应用），将通过坚实的横向传播和开发战略，形成制定未来市场渗透计划的基础。

Widespread use of hydrogen as an energy carrier is a key priority for the EU, in order to achieve its climate and energy transition targets. Developing sustainable, efficient and safe hydrogen storage technologies has, however, proved challenging. MOST-H2, in full alignment with the requirements of HORIZON-CL4-2021-RESILIENCE-01-17, proposes an integrated multiscale lab-to-tank approach to develop, validate and demonstrate innovative, low cost cryo-adsorptive hydrogen storage, using monolithic Metal-Organic Framework (MOF) adsorbents, with an optimal combination of volumetric and gravimetric capacity, but also a small environmental footprint. Advanced synthetic strategies and sophisticated computational techniques, including molecular simulation and machine learning, will be combined in a cyclic materials development approach, to deliver new high performance, sustainable-by-design MOF adsorbents. The main aim is to computationally design, then synthesise and validate experimentally, ultra porous MOFs with usable storage capacities above 10 wt% and 50 g/L on a materials basis, at an operating pressure below 100 bar. This represents an essential step towards more efficient, intrinsically safer and cost effective storage solutions, compared to conventional hydrogen storage technologies. An important part of the project will be devoted to developing and upscaling monolithic forms of optimal MOF materials to allow easy integration into a cryo-adsorption storage tank, specifically designed for this purpose, which will be tested in a TRL 5 environment. The outcomes, coupled with full life cycle analysis and techno-economic assessment of MOST-H2 technology, with a view to selected end uses (rail and road applications), will form the basis for elaborating future market penetration plans through a solid horizontal dissemination and exploitation strategy.