Scholarlink

<p>The separation of propylene (C<sub>3</sub>H<sub>6</sub>) from propane (C<sub>3</sub>H<sub>8</sub>) remains a major industrial challenge due to the energy-intensive nature of cryogenic distillation. Metal-organic frameworks (MOFs) offer a promising solution by enabling molecular sieving under mild conditions. Here, we explore a pendant-group-engineering approach to gate-opening pressures in a flexible MOF platform, resulting in two isoreticular frameworks, JNU-5-Me and JNU-5-Et. Among them, JNU-5-Et, featuring abundant ethyl functional groups and optimal pore sizes, exhibits sieving separation of C<sub>3</sub>H<sub>6</sub> from C<sub>3</sub>H<sub>8</sub>, with a high C<sub>3</sub>H<sub>6</sub> uptake capacity (~50 cm<sup>3</sup>/g) and an exceptional C<sub>3</sub>H<sub>6</sub>/C<sub>3</sub>H<sub>8</sub> selectivity (1.4 × 10<sup>5</sup>) at 298 K and 1 bar. Interestingly, the flexible nature of JNU-5-Et leads to a substantially rapid adsorption diffusivity coefficients (<i>D</i><sub>c</sub> = 8.14 × 10<sup>−9</sup> cm<sup>2</sup>/min) than that for Co-gallate (6.56 × 10<sup>−9</sup> cm<sup>2</sup>/min), a rigid C<sub>3</sub>H<sub>6</sub>/C<sub>3</sub>H<sub>8</sub> sieving MOF material. Simulation studies further indicate that multiple host-guest interactions, such as C–H⋯<i>π</i>, C–H⋯O, and C–H⋯N, contribute to the preferential adsorption of C<sub>3</sub>H<sub>6</sub>, highlighting pendant group engineering in flexible MOFs as an effective strategy for energy-efficient C<sub>3</sub>H<sub>6</sub> purification.</p>

错误：搜索内容不能为空，请输入英文关键词
错误：关键词超出字数限制，请精简
高级检索

Pendant group engineering to tune gate-opening pressures in flexible metal-organic frameworks for C3H6/C3H8 separation

  • 期刊论文

  • 发表日期：

    2026年7月24日

查看全文
  • Qi-Yun Cao,
  • Jiao Chen,
  • Xue Ma,
  • Xiao-Jing Xie,
  • Yisi Yang,
  • Weigang Lu,
  • Heng Zeng,
  • Dan Li

摘要

The separation of propylene (C3H6) from propane (C3H8) remains a major industrial challenge due to the energy-intensive nature of cryogenic distillation. Metal-organic frameworks (MOFs) offer a promising solution by enabling molecular sieving under mild conditions. Here, we explore a pendant-group-engineering approach to gate-opening pressures in a flexible MOF platform, resulting in two isoreticular frameworks, JNU-5-Me and JNU-5-Et. Among them, JNU-5-Et, featuring abundant ethyl functional groups and optimal pore sizes, exhibits sieving separation of C3H6 from C3H8, with a high C3H6 uptake capacity (~50 cm3/g) and an exceptional C3H6/C3H8 selectivity (1.4 × 105) at 298 K and 1 bar. Interestingly, the flexible nature of JNU-5-Et leads to a substantially rapid adsorption diffusivity coefficients (Dc = 8.14 × 10−9 cm2/min) than that for Co-gallate (6.56 × 10−9 cm2/min), a rigid C3H6/C3H8 sieving MOF material. Simulation studies further indicate that multiple host-guest interactions, such as C–H⋯π, C–H⋯O, and C–H⋯N, contribute to the preferential adsorption of C3H6, highlighting pendant group engineering in flexible MOFs as an effective strategy for energy-efficient C3H6 purification.