Solvent-induced metal-organic framework for enhanced CO2/CH4 separation: Synthesis, characterization, and mechanism analysis

IF 2.7 3区化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR

Inorganica Chimica Acta Pub Date : 2024-12-18 DOI:10.1016/j.ica.2024.122508

Hong-bo Yuan , Li-jiao Chen , Yong-ning Yang , Bao Li

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引用次数: 0

Abstract

The purification of CH₄ and CO₂ underscores the critical need. Copper-based Metal-Organic Frameworks (MOFs) present a promising alternative for gas separation. In this work, we developed a novel Cu-MOF with increased open metal sites to enhance CO₂ adsorption by utilizing N-Methyl-2-pyrrolidone (NMP) as a structure-directing solvent. Cu-MOF possesses a three-dimensional (3D) open framework, incorporating a one-dimensional channel structure with dimensions of 10.2 × 9.7 Å. Characterized by a specific surface area of 151.3 m²/g, optimized pore structure, and open metal sites, Cu-MOF has demonstrated superior CO₂ adsorption capabilities and potential for application in CO₂/CH₄ gas separation. Density Functional Theory (DFT) calculations have elucidated that the copper open sites, monodentate coordinated carboxylates, and coordinated water molecules within Cu-MOF are the primary sites for CO₂ adsorption.

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来源期刊

Inorganica Chimica Acta 化学-无机化学与核化学

CiteScore

6.00

自引率

3.60%

发文量

440

审稿时长

35 days

期刊介绍： Inorganica Chimica Acta is an established international forum for all aspects of advanced Inorganic Chemistry. Original papers of high scientific level and interest are published in the form of Articles and Reviews. Topics covered include: • chemistry of the main group elements and the d- and f-block metals, including the synthesis, characterization and reactivity of coordination, organometallic, biomimetic, supramolecular coordination compounds, including associated computational studies; • synthesis, physico-chemical properties, applications of molecule-based nano-scaled clusters and nanomaterials designed using the principles of coordination chemistry, as well as coordination polymers (CPs), metal-organic frameworks (MOFs), metal-organic polyhedra (MPOs); • reaction mechanisms and physico-chemical investigations computational studies of metalloenzymes and their models; • applications of inorganic compounds, metallodrugs and molecule-based materials. Papers composed primarily of structural reports will typically not be considered for publication.