Suresh Kuthuru, Aulakh Darpandeep, Purewal Justin, Siegel Donald J, Veenstra Mike, Matzger Adam J
Department of Chemistry, University of Michigan, 930 North University Avenue, Ann Arbor, Michigan 48109, United States.
Ford Motor Company, Research and Advanced Engineering, 1201 Village Rd., Dearborn, Michigan 48121, United States.
J Am Chem Soc. 2021 Jul 21;143(28):10727-10734. doi: 10.1021/jacs.1c04926. Epub 2021 Jul 9.
Metal-organic frameworks (MOFs) are promising materials for hydrogen storage that fail to achieve expected theoretical values of volumetric storage density due to poor powder packing. A strategy that improves packing efficiency and volumetric hydrogen gas storage density dramatically through engineered morphologies and controlled-crystal size distributions is presented that holds promise for maximizing storage capacity for a given MOF. The packing density improvement, demonstrated for the benchmark sorbent MOF-5, leads to a significant enhancement of volumetric hydrogen storage performance relative to commercial MOF-5. System model projections demonstrate that engineering of crystal morphology/size or use of a bimodal distribution of cubic crystal sizes in tandem with system optimization can surpass the 25 g/L volumetric capacity of a typical 700 bar compressed storage system and exceed the DOE targets 2020 volumetric capacity (30 g/L). Finally, a critical link between improved powder packing density and reduced damage upon compaction is revealed leading to sorbents with both high surface area and high density.
金属有机框架材料（MOFs）是很有前景的储氢材料，但由于粉末堆积不佳，其体积存储密度未能达到预期的理论值。本文提出了一种策略，通过设计形态和控制晶体尺寸分布，显著提高堆积效率和氢气存储体积密度，有望在给定的MOF中实现存储容量最大化。以基准吸附剂MOF-5为例，堆积密度的提高使得其氢气存储体积性能相对于商用MOF-5有显著提升。系统模型预测表明，晶体形态/尺寸的工程设计或立方晶体尺寸双峰分布与系统优化相结合，可超过典型700巴压缩存储系统25克/升的体积容量，并超过美国能源部2020年的体积容量目标（30克/升）。最后，揭示了粉末堆积密度提高与压实损伤减少之间的关键联系，从而得到具有高表面积和高密度的吸附剂。
