核壳型咪唑酸分子筛骨架的合成及其在N2上增强CO2捕获和分离的GCMC模拟和实验研究

IF 8.1 1区工程技术 Q1 ENGINEERING, CHEMICAL

Separation and Purification Technology Pub Date : 2025-05-28 DOI:10.1016/j.seppur.2025.133799

Nikom Klomkliang , Nattanon Threerattanakulpron , Jakkapan Kumsi , Jarosław Serafin , Somboon Chaemchuen

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引用次数: 0

摘要

在室温下通过种子介导生长合成了核壳型咪唑酸分子筛骨架（zif） ZIF-8@ZIF-67和ZIF-67@ZIF-8，同时保留了它们的菱形十二面体形态。这些材料表现出增强的CO2吸附能力，在1 bar和0 °C下，ZIF-67@ZIF-8比单金属ZIF-8提高了38 %。此外，CO2/N2选择性提高了25 %，表明了较好的分离效率。大规范蒙特卡罗模拟证实，Zn-Co界面增强了CO2结合能，同时降低了N2亲和力，为分子水平的吸附机制提供了见解。这些发现表明，核壳型zif是工业应用中节能二氧化碳捕获的有希望的候选者。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

Synthesis of core–shell zeolitic imidazolate frameworks for enhanced CO2 capture and separation over N2: A GCMC simulation and experimental study

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Synthesis of core–shell zeolitic imidazolate frameworks for enhanced CO2 capture and separation over N2: A GCMC simulation and experimental study

Core-shell Zeolitic Imidazolate Frameworks (ZIFs), ZIF-8@ZIF-67 and ZIF-67@ZIF-8, were synthesized via seed-mediated growth at room temperature while preserving their rhombic dodecahedron morphology. These materials exhibited enhanced CO₂ adsorption capacity, with ZIF-67@ZIF-8 achieving a 38 % improvement over monometallic ZIF-8 at 1 bar and 0 °C. Furthermore, CO₂/N₂ selectivity increased by 25 %, demonstrating superior separation efficiency. Grand Canonical Monte Carlo simulations confirmed that the Zn-Co interface strengthens CO₂ binding energy while reducing N₂ affinity, providing molecular-level insights into the adsorption mechanism. These findings suggest that core–shell ZIFs are promising candidates for energy-efficient CO₂ capture in industrial applications.

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来源期刊

Separation and Purification Technology 工程技术-工程：化工

CiteScore

14.00

自引率

12.80%

发文量

2347

审稿时长

43 days

期刊介绍： Separation and Purification Technology is a premier journal committed to sharing innovative methods for separation and purification in chemical and environmental engineering, encompassing both homogeneous solutions and heterogeneous mixtures. Our scope includes the separation and/or purification of liquids, vapors, and gases, as well as carbon capture and separation techniques. However, it's important to note that methods solely intended for analytical purposes are not within the scope of the journal. Additionally, disciplines such as soil science, polymer science, and metallurgy fall outside the purview of Separation and Purification Technology. Join us in advancing the field of separation and purification methods for sustainable solutions in chemical and environmental engineering.