Maximizing the Density of π‐Electron in Metal‐Organic Frameworks for Benchmark Paraffin Separation DOI Open Access
Yanying Liu, Jiawen Wang, Shixian Fan

et al.

Advanced Functional Materials, Journal Year: 2025, Volume and Issue: unknown

Published: March 24, 2025

Abstract Selective paraffin adsorption is crucial in chemical processes but faces significant challenges. Herein a promising strategy by maximizing the density of π‐electron (D π defined to be Number (π‐electron) /Volume (single pore) ) metal‐organic framewok (MOF) pore proposed boost separation. SNNU‐126 features triangular prismatic with highest D value 0.2070 e Å −3 selected and rationally regulated incorporating amino electron‐donating groups (EDGs) demonstrate feasibility this strategy. As expected, extraordinary together multiple EDGs endow SNNU‐126‐129 top‐level capacity, exceptional IAST selectivity, excellent separation ability as well productivity. Specially, SNNU‐129 nine demonstrates longest breakthrough interval times for C 2 H 6 /CH 4 (205 min g −1 3 8 (710 from ternary gas mixture one‐step CH productivity 15.56 mmol (purity > 99.5%) at 298 K 1 bar, which surpass values all current adsorbents set benchmark In situ infrared spectra DFT simulations clearly verify that MOF effectively enlarges C─H···π interactions, widens affinity gap, results performance.

Language: Английский

Maximizing the Density of π‐Electron in Metal‐Organic Frameworks for Benchmark Paraffin Separation DOI Open Access
Yanying Liu, Jiawen Wang, Shixian Fan

et al.

Advanced Functional Materials, Journal Year: 2025, Volume and Issue: unknown

Published: March 24, 2025

Abstract Selective paraffin adsorption is crucial in chemical processes but faces significant challenges. Herein a promising strategy by maximizing the density of π‐electron (D π defined to be Number (π‐electron) /Volume (single pore) ) metal‐organic framewok (MOF) pore proposed boost separation. SNNU‐126 features triangular prismatic with highest D value 0.2070 e Å −3 selected and rationally regulated incorporating amino electron‐donating groups (EDGs) demonstrate feasibility this strategy. As expected, extraordinary together multiple EDGs endow SNNU‐126‐129 top‐level capacity, exceptional IAST selectivity, excellent separation ability as well productivity. Specially, SNNU‐129 nine demonstrates longest breakthrough interval times for C 2 H 6 /CH 4 (205 min g −1 3 8 (710 from ternary gas mixture one‐step CH productivity 15.56 mmol (purity > 99.5%) at 298 K 1 bar, which surpass values all current adsorbents set benchmark In situ infrared spectra DFT simulations clearly verify that MOF effectively enlarges C─H···π interactions, widens affinity gap, results performance.

Language: Английский

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