Developing efficient adsorbents with high uptake and selectivity for separation and recovery of C₂H₆ and C₃H₈ from natural gas is an important but challenging task. In this work, we demonstrate that high surface polarity and suitable pore diameter are two key factors that can synergistically enhance the separation performance, exemplified by metal–organic framework (MOF)-303 and Matériaux de l’Institut Lavoisier (MIL)-160, both possessing one-dimensional (1D) open channels with high density of heteroatoms and desired pore size (5–7 Å). Significantly, the uptake of MOF-303 for C₃H₈ is up to 3.38 mmol⋅g⁻¹ at 298 K and 5 kPa with a record-high C₃H₈/CH₄ (5:85, v/v) ideal adsorbed solution theory (IAST) selectivity of 5114 among all reported MOFs. In addition, MOF-303 also displays high C₂H₆ uptake capacity (at 10 kPa) and C₂H₆/CH₄ (10:85, v/v) selectivity, reaching 1.59 mmol⋅g⁻¹ and 26, respectively. Owing to the larger pore diameter and lower density of heteroatoms within its 1D channels, MIL-160 shows apparently lower uptake and selectivity compared to those of MOF-303, though the values exceed those of majority of reported MOFs. Density functional theory (DFT) calculations verify that the high surface polarity and the suitable pore diameter synergistically enhance the affinity of the frameworks toward C₃H₈ and C₂H₆, giving rise to the high loading capacity and selectivity for C₃H₈ and C₂H₆. Both MOFs feature remarkable moisture stability without structural change upon exposure to 95% relative humidity (RH) for a month. In addition, synthesis of both compounds can be readily scaled up through one-pot reactions to afford about 5 g samples with high crystallinity. Finally, the substantial potential of MOF-303 and MIL-160 as advanced adsorbents for efficient separation of C₃H₈/C₂H₆/CH₄ has been demonstrated by ternary breakthrough experiments, regeneration tests, and cyclic evaluation. The excellent separation performance, high stability, low cost, and good scalability endow both MOFs promising adsorbents for natural gas purification and recovery of C₂H₆ and C₃H₈.

开发具有高吸附性和选择性的高效吸附剂用于从天然气中分离和回收C ₂ H ₆和C ₃ H _{8是一项重要但具有挑战性的任务。}在这项工作中，我们证明了高表面极性和合适的孔径是可以协同提高分离性能的两个关键因素，例如金属有机骨架 (MOF)-303 和 Matériaux de l'Institut Lavoisier (MIL)-160，两者都具有一维 (1D) 开放通道，具有高杂原子密度和所需的孔径 (5–7 Å)。_{值得注意的是，在 298 K 和 5 kPa 下，MOF-303 对 C 3} H ₈的吸收高达 3.38 mmol·g ^{−1 ，C} ₃创历史新高在所有已报道的 MOF 中， H ₈ /CH ₄ (5:85, v/v) 5114 的理想吸附溶液理论 (IAST) 选择性。此外，MOF-303 还显示出高 C ₂ H ₆吸收容量（在 10 kPa 时）和 C ₂ H ₆ /CH ₄（10:85，v/v）选择性，达到 1.59 mmol·g ⁻¹和 26，分别。由于其一维通道内较大的孔径和较低的杂原子密度，与 MOF-303 相比，MIL-160 的吸收和选择性明显较低，尽管该值超过了大多数已报道的 MOF。_{密度泛函理论 (DFT) 计算证实，高表面极性和合适的孔径协同增强骨架对 C 3} H ₈和 C ₂ H ₆的亲和力，从而提高对C ₃ H ₈的负载能力和选择性和 C ₂ H ₆. 两种 MOF 都具有显着的水分稳定性，在 95% 的相对湿度 (RH) 下暴露一个月后结构不会发生变化。此外，两种化合物的合成都可以通过一锅反应轻松放大，以提供约 5 g 的高结晶度样品。最后，MOF-303 和 MIL-160 作为高效分离 C ₃ H ₈ /C ₂ H ₆ /CH ₄的先进吸附剂的巨大潜力已通过三元突破实验、再生测试和循环评估得到证明。优异的分离性能、高稳定性、低成本和良好的可扩展性赋予这两种 MOFs 很有前途的吸附剂用于天然气净化和回收 C ₂ H ₆和C ₃ H ₈。