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[Mn-bpdc] Efficient separation of 1,3-butadiene from C4 hydrocarbons by flexible mMOFs with gate-opening effect
Summary:
The authors from Tiangong University developed a flexible Mn-bpdc metal–organic framework (MOF) with a gate-opening effect, achieving highly efficient separation of 1,3-butadiene (C4H6) from C4 hydrocarbons.

Background:
1. Separating 1,3-butadiene (C4H6) from C4 hydrocarbons is crucial in the petrochemical industry, as C4H6 is a key raw material for synthetic rubber and resins. Traditional methods like extraction distillation are energy-intensive and environmentally unfriendly. Previous researchers have explored various adsorbents, but challenges remain due to the similar physical properties of C4 hydrocarbons.
2. The authors proposed using a flexible Mn-bpdc MOF with a gate-opening effect to selectively capture C4H6, achieving high selectivity and efficiency in separation.
Research Content:
1. Synthesis:
The authors synthesized the Mn-bpdc MOF via a hydrothermal reaction using MnSO4 and 2,2'-bipyridine-4,4'-dicarboxylic acid (H2BPDC) as precursors.
2. Characterizations:
1) BET surface area of Mn-bpdc was 159 m²/g, with a pore volume of 0.10 cc/g.
2) SEM images revealed rod-shaped laminated microstructures.
3) In-situ XRD and FTIR analyses confirmed the structural flexibility and strong interactions between C4H6 and the MOF.
3. Application:
The Mn-bpdc MOF demonstrated excellent separation performance for C4H6 from mixtures with n-C4H8, iso-C4H8, n-C4H10, and iso-C4H10, with uptake selectivities of 40.0 and 45.0 for C4H6/n-C4H8 and C4H6/iso-C4H8, respectively.
4. Mechanism:
The low gate-opening pressure (0.13 bar) for C4H6 was attributed to its double C=C bonds, which induce structural transformation in the MOF. DFT calculations showed strong C-H...O interactions, contributing to the selective adsorption of C4H6.

Outlook:
This research provides a new benchmark for C4H6 purification using flexible MOFs. The Mn-bpdc MOF's high selectivity, water stability, and regeneration ability make it a promising candidate for industrial applications in C4H6 separation.
Efficient separation of 1,3-butadiene from C4 hydrocarbons by flexible metal–organic framework with gate-opening effect
Authors: Lu Wang, Hongliang Huang, Hejin Zhu, Yanjiao Chang, Xiangyu Guo, Fan Yang, Chongli Zhong
DOI: 10.1002/aic.17568
Link: https://onlinelibrary.wiley.com/doi/10.1002/aic.17568
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