Optimizing the pore space of a robust nickel–organic framework for efficient C2H2/C2H4 separation. Issue 3 (3rd January 2023)

• Record Type: Journal Article
• Authors: Liu, Xiuping; Li, Yue; Hao, Chunlian; Fan, Weidong; Liu, Wei; Liu, Jingquan; Wang, Yijun
• Is Part Of: Inorganic chemistry frontiers. Volume 10:Issue 3(2023)
• Page Start: 824
• Page End: 831
• Publication Date: 2023-01-03
• Subjects: Chemistry, Inorganic -- Periodicals; 546.05
• DOI: 10.1039/d2qi02398a
• Languages: English
• ISSNs: 2052-1553

Abstract

Abstract : A robust nickel–organic framework (UPC-22) with intrinsic hydrogen bonds and one-dimensional functionalized channels for efficient purification of C2 H4 . Abstract : The separation of acetylene (C2 H2 ) from ethylene (C2 H4 ) is an important but challenging process in industry because of their similar physical properties and kinetic molecular sizes. Here, we presented a robust nickel–organic framework (UPC-22) with intrinsic hydrogen bonds and one-dimensional functionalized channels, offering efficient purification of C2 H4 . UPC-22 exhibits excellent chemical stability at various pH values from 1 to 11 and a high C2 H2 /C2 H4 selectivity of 4.8 at 273 K. Actual breakthrough experiments further demonstrate that UPC-22 is a promising potential adsorbent for C2 H2 /C2 H4 separation with a C2 H4 productivity of 1.07 mmol g −1 . Grand canonical Monte Carlo simulation and density functional theory indicate that the unsaturated Ni II sites and uncoordinated carboxylate groups with an additional contribution from π⋯π packing between aromatic rings provide stronger multipoint interactions with C2 H2 over C2 H4 . This study offers practical guidance to fabricate durable materials for C2 H2 /C2 H4 separation in real industrial scenarios.