Study of C2H6/C2H4 adsorption and separation performance using MOFs based on nitrogen-containing organic ligands

QI Chaolu; WANG Li; YANG Jiangfeng; LI Jinping

doi:10.11949/0438-1157.20260553

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Study of C₂H₆/C₂H₄ adsorption and separation performance using MOFs based on nitrogen-containing organic ligands

更新时间：2026-07-15

- Study of C₂H₆/C₂H₄ adsorption and separation performance using MOFs based on nitrogen-containing organic ligands
- CIESC Journal (2026)
- 作者机构：
  
  1.太原理工大学化学与化工学院，山西太原 030024
  2.怀柔实验室山西研究院，山西太原 030032
- 作者简介：
- 基金信息：
- DOI：10.11949/0438-1157.20260553
  CLC： TQ 028.1
- Received：17 April 2026，
  
  Revised：2026-07-08，
  
  Accepted：15 July 2026，
- 稿件说明：
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QI Chaolu, WANG Li, YANG Jiangfeng, et al. Study of C₂H₆/C₂H₄ adsorption and separation performance using MOFs based on nitrogen-containing organic ligands[J/OL]. CIESC Journal, 2026. DOI: 10.11949/0438-1157.20260553.
DOI：

QI Chaolu, WANG Li, YANG Jiangfeng, et al. Study of C₂H₆/C₂H₄ adsorption and separation performance using MOFs based on nitrogen-containing organic ligands[J/OL]. CIESC Journal, 2026. DOI: 10.11949/0438-1157.20260553. DOI：

摘要

作为现代石油化学工业的核心过程之一，乙烷与乙烯的有效分离具有重要的工业应用价值。利用含氮杂环化合物TCPP作为配体，采用溶剂热法成功合成了PPF-1-Zn和金属取代的同构钴基材料PPF-1-Co。采用PXRD、TGA和77 K下的N

吸脱附等温线对材料的结构与孔性能进行了系统表征。测试了两种材料对乙烷和乙烯单组分气体的吸附性能，并进行了选择性和吸附热的计算。两种材料对乙烷的吸附量均高于乙烯，表现出对乙烷的优先吸附特性，在298 K和1 bar条件下，C

选择性均为1.64。吸附热计算表明，PPF-1-Zn的C

吸附热较低，为25.9 kJ/mol，有利于吸附剂再生。混合气体穿透实验表明，PPF-1-Zn具有良好的C

分离性能和稳定性。密度泛函理论（DFT）计算表明，配体中的N原子是主要的气体吸附位点。

Abstract

As one of the core processes in the modern petrochemical industry

the efficient separation of ethan

e and ethylene holds significant industrial application value. PPF-1-Zn

using the N-heterocyclic compound TCPP as the ligand

and its metal-substituted

isostructural cobalt-based counterpart

PPF-1-Co

were successfully synthesized via a solvothermal method. Their crystal structures and porosity were systematically characterized by powder X-ray diffraction (PXRD)

thermogravimetric analysis (TGA)

and N

sorption isotherms at 77 K. The single-component gas adsorption performance of both materials for ethane and ethylene was evaluated

and their selectivities and heats of adsorption were calculated. Both materials exhibited higher adsorption capacities for ethane than for ethylene

demonstrating a preferential adsorption towards ethane with a C

selectivity of 1.64 at 298 K and 1 bar. The adsorption heat of C

on PPF-1-Zn is relatively low (25.9 kJ/mol)

which facilitates adsorbent regeneration. Dynamic mixed-gas breakthrough experiments demonstrate that PPF-1-Zn exhibits reasonable C

separation performance and stability. Density functional theory (DFT) calculations indicate that the N atom in the ligand is the primary gas adsorption site.

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