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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Issued Date
2025-12-05
Resource Type
ISSN
13835866
eISSN
18733794
Scopus ID
2-s2.0-105006835291
Journal Title
Separation and Purification Technology
Volume
375
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SCOPUS
Bibliographic Citation
Separation and Purification Technology Vol.375 (2025)
Suggested Citation
Klomkliang N., Threerattanakulpron N., Kumsi J., Serafin J., Chaemchuen S. Synthesis of core–shell zeolitic imidazolate frameworks for enhanced CO2 capture and separation over N2: A GCMC simulation and experimental study. Separation and Purification Technology Vol.375 (2025). doi:10.1016/j.seppur.2025.133799 Retrieved from: https://repository.li.mahidol.ac.th/handle/123456789/110522
Title
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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Abstract
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 CO<inf>2</inf> adsorption capacity, with ZIF-67@ZIF-8 achieving a 38 % improvement over monometallic ZIF-8 at 1 bar and 0 °C. Furthermore, CO<inf>2</inf>/N<inf>2</inf> selectivity increased by 25 %, demonstrating superior separation efficiency. Grand Canonical Monte Carlo simulations confirmed that the Zn-Co interface strengthens CO<inf>2</inf> binding energy while reducing N<inf>2</inf> affinity, providing molecular-level insights into the adsorption mechanism. These findings suggest that core–shell ZIFs are promising candidates for energy-efficient CO<inf>2</inf> capture in industrial applications.