Novel metal-organic framework adsorbents for efficient storage of hydrogen

为了实现其气候和能源转型目标，广泛使用氢气作为能源载体是欧盟的关键优先事项。然而，事实证明，开发可持续、高效和安全的储氢技术具有挑战性。MOST-H2与Horizon-CL4-2021-Resilience-01-17的要求完全一致，提出了一种综合的多尺度实验室到储罐的方法，以开发、验证和展示创新的、低成本的低温吸附储氢，使用整体式金属-有机框架(MOF)吸附剂，具有体积和重量能力的最佳组合，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。其主要目的是在100bar以下的工作压力下，通过计算设计、合成和实验验证可用存储容量大于10wt%、50g/L的材料的超多孔MOF。与传统的氢存储技术相比，这代表着朝着更高效、本质上更安全和成本效益更高的存储解决方案迈出了重要的一步。该项目的一个重要部分将致力于开发和扩大最佳MOF材料的整体形式，以便能够轻松地集成到专门为此目的设计的冷冻吸附储存罐中，该储存罐将在TRL 5环境中进行测试。结果，再加上MOST-H2技术的完整生命周期分析和技术经济评估，以期选定的最终用途(铁路和公路应用)，将成为通过坚实的横向传播和开发战略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.