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Flow Channel with Recognition Corners in a Stable La-MOF for One-Step Ethylene Production

Mingxing Zhang, Junyang Jiang, Haitian Zhao, Yu Wang, Xingge He, Meng Chen, Wei Wang, Shangyu Wang, Su Wang, Miao Wang, Tongming Sun, Guoping Qin, Yanfeng Tang, Hui−Hui Cui

2024Inorganic Chemistry10 citationsDOI

Abstract

Single-step ethylene (C 2 H 4 ) production from acetylene (C 2 H 2 ), ethylene (C 2 H 4 ), and ethane (C 2 H 6 ) mixtures was realized via the strategy of a flow channel with recognition corners in MOF NTUniv-64 . Both the uptake amounts and the enthalpy of adsorption ( Q st ) showed the same order of C 2 H 2 > C 2 H 6 > C 2 H 4 . Breakthrough testing also verified the above data and the C 2 H 4 purification ability. Grand Canonical Monte Carlo (GCMC) simulations indicated that uneven corners could precisely detain C 2 H 2 and C 2 H 6, in which the C–H···π interaction distance between C 2 H 2 (2.84 Å) and C 2 H 6 (3.03 Å) and the framework was shorter than that of C 2 H 4 (3.85 Å).

Topics & Concepts

ChemistryEthyleneAcetyleneAdsorptionEnthalpyFlow (mathematics)Channel (broadcasting)Monte Carlo methodThermodynamicsPhysical chemistryMechanicsCatalysisOrganic chemistryPhysicsElectrical engineeringEngineeringStatisticsMathematicsMetal-Organic Frameworks: Synthesis and ApplicationsCatalytic Processes in Materials ScienceMachine Learning in Materials Science
Flow Channel with Recognition Corners in a Stable La-MOF for One-Step Ethylene Production | Litcius