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


使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，但仍未得到实现。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 cm ³ /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，在 Ni-DMOF-DM 上，可以从三元混合物中直接收集超高纯度丙烯（丙烷< 0.005% 和丙炔 < 1.0 ppm），可实现高达 152.14 L/kg 的生产率。