Metal-organic frameworks (MOFs) are an emerging class of porous materials with potential applications for gas storage and separation. With industrialization, MOFs inevitably encounter processing under mechanical pressure, whereas the behaviors of MOFs under such conditions are not commonly studied. Here, we chose PCN-250, a promising candidate for methane storage, to study the impact of uniaxial mechanical pressure on the MOFs’ structures and properties as a model of an MOF extrusion process. A sequential phase transformation was observed and recorded by X-ray diffraction analysis, which involved N=N bond flipping and Fe‒O bond bending. Furthermore, the effects of pressure on the CH₄ adsorption capacity of PCN-250 were investigated by experiments and simulations. The PCN-250 pellet processed under optimized conditions shows an improved volumetric CH₄ uptake of 21% without obvious loss of gravimetric performance.

金属有机框架（MOF）是一类新兴的多孔材料，具有潜在的气体存储和分离应用。随着工业化，MOF不可避免地要在机械压力下进行加工，而在这种条件下，MOF的行为并未得到普遍研究。在这里，我们选择PCN-250（一种有前途的甲烷存储方法）来研究单轴机械压力对MOF的结构和性能的影响，以此作为MOF挤出工艺的模型。通过X射线衍射分析观察并记录了相继相变，包括N = N键翻转和Fe‒O键弯曲。此外，压力对CH _4的影响通过实验和模拟研究了PCN-250的吸附能力。在优化条件下加工的PCN-250颗粒显示出21％的改进的体积CH ₄吸收率，而重量分析性能却没有明显损失。