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Study of CHF3/CH2F2 Adsorption Separation in TIFSIX-2-Cu-i.
Wang, Shoudong; Zhou, Lei; Qin, Hongyun; Dong, Zixu; Li, Haoyuan; Liu, Bo; Wang, Zhilu; Zhang, Lina; Fu, Qiang; Chen, Xia.
Afiliación
  • Wang S; School of Chemistry and Chemical Engineering, Shandong University of Technology, Zibo 255049, China.
  • Zhou L; Shandong Dongyue Organosilicon Materials Co., Ltd., Zibo 256401, China.
  • Qin H; School of Chemistry and Chemical Engineering, Shandong University of Technology, Zibo 255049, China.
  • Dong Z; School of Chemistry and Chemical Engineering, Shandong University of Technology, Zibo 255049, China.
  • Li H; School of Chemistry and Chemical Engineering, Shandong University of Technology, Zibo 255049, China.
  • Liu B; School of Chemistry and Chemical Engineering, Shandong University of Technology, Zibo 255049, China.
  • Wang Z; School of Chemistry and Chemical Engineering, Shandong University of Technology, Zibo 255049, China.
  • Zhang L; School of Chemistry and Chemical Engineering, Shandong University of Technology, Zibo 255049, China.
  • Fu Q; School of Chemistry and Chemical Engineering, Shandong University of Technology, Zibo 255049, China.
  • Chen X; School of Chemistry and Chemical Engineering, Shandong University of Technology, Zibo 255049, China.
Molecules ; 29(8)2024 Apr 11.
Article en En | MEDLINE | ID: mdl-38675541
ABSTRACT
Hydrofluorocarbons (HFCs) have important applications in different industries; however, they are environmentally unfriendly due to their high global warming potential (GWP). Hence, reclamation of used hydrofluorocarbons via energy-efficient adsorption-based separation will greatly contribute to reducing their impact on the environment. In particular, the separation of azeotropic refrigerants remains challenging, such as typical mixtures of CH2F2 (HFC-23) and CHF3 (HFC-32), due to a lack of adsorptive mechanisms. Metal-organic frameworks (MOFs) can provide a promising solution for the separation of CHF3-CH2F2 mixtures. In this study, the adsorption mechanism of CHF3-CH2F2 mixtures in TIFSIX-2-Cu-i was revealed at the microscopic level by combining static pure-component adsorption experiments, molecular simulations, and density-functional theory (DFT) calculations. The adsorption separation selectivity of CH2F2/CHF3 in TIFSIX-2-Cu-i is 3.17 at 3 bar under 308 K. The existence of similar TiF62- binding sites for CH2F2 or CHF3 was revealed in TIFSIX-2-Cu-i. Interactions between the fluorine atom of the framework and the hydrogen atom of the guest molecule were found to be responsible for determining the high adsorption separation selectivity of CH2F2/CHF3. This exploration is important for the design of highly selective adsorbents for the separation of azeotropic refrigerants.
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: Molecules Asunto de la revista: BIOLOGIA Año: 2024 Tipo del documento: Article País de afiliación: China Pais de publicación: Suiza
Texto completo
Añadir a Mi BVS
Imprimir
XML
PubMed Links
Buscar en Google

Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: Molecules Asunto de la revista: BIOLOGIA Año: 2024 Tipo del documento: Article País de afiliación: China Pais de publicación: Suiza