Purifying ultra‐high purity propylene (>99.995%) with an energy‐efficient adsorptive separation method is a promising yet challenging technology that remains unfulfilled. Instead of solely considering the effect of adsorbents on guest molecules, we propose a synergistic adsorption mechanism for the deep removal of propane and propyne, utilizing supramolecular interactions in both “host‐guest” and “guest‐guest” systems. Through modulation of the pore environment, Ni‐DMOF‐DM exhibits exceptionally high adsorption capacities for propane and propyne (171 and 197 cm3/g at ambient temperature and pressure, respectively), and unprecedented propane/propylene separation selectivity (2.74). Theoretical calculations confirm the geometric interactions of C‐H···π bonds and C‐H···O hydrogen bonds resulting from host‐guest interactions, alongside C‐H···H guest‐guest interactions within the confined pore space. Breakthrough experiments demonstrated that ultra‐high purity propylene (propane < 0.005% and propyne < 1.0 ppm) can be directly collected from ternary mixtures on Ni‐DMOF‐DM, achieving a productivity of up to 152.14 L/kg.

中文翻译：

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优化金属-有机框架内的超分子相互作用，实现超高纯度丙烯纯化


用节能吸附分离方法纯化超高纯度丙烯 （>99.995%） 是一项有前途但具有挑战性的技术，但仍未得到满足。我们不仅考虑吸附剂对客体分子的影响，还提出了一种协同吸附机制，用于深度去除丙烷和丙炔，利用“主客体”和“客体-客体”系统中的超分子相互作用。通过调节孔隙环境，Ni-DMOF-DM 对丙烷和丙炔表现出极高的吸附能力（在环境温度和压力下分别为 171 和 197 cm3/g）和前所未有的丙烷/丙烯分离选择性 （2.74）。理论计算证实了 C‐H···π键和 C‐H···O 主客体相互作用产生的氢键，以及 C‐H···H 密闭孔隙空间内的客客互动。突破性实验表明，超高纯度丙烯（丙烷 < 0.005% 和丙炔 < 1.0 ppm）可以直接从 Ni-DMOF-DM 上的三元混合物中收集，实现高达 152.14 L/kg 的生产率。