RESUMEN
For industrial tail gas to be converted into high-purity hydrogen, the H2-N2 mixture needs to be separated efficiently. This work examined the adsorption characteristics and competitive mechanisms of H2 and N2 on LTA- and FAU-type zeolites, at 77 K, 298 K, and 0.1-10 bar by thoroughly analyzing results of adsorption capacity experiments and molecular simulations. In the Grand Canonical Monte Carlo (GCMC) simulations, the force field causing a molecular dipole of H2 and the polarization force field of N2 are first applied. The accuracy of the force field was experimentally verified. The findings indicate that N2 and H2 loading on Ca-FAU (Ca-LTA) are higher than Na-FAU (Na-LTA). On NaX at 77 K, the highest adsorption selectivity (N2/H2) is observed; on NaA at 298 K, it is the opposite. The GCMC data findings demonstrate that H2 and N2 have remarkably similar adsorption sites, with framework oxygen atoms and non-framework cations serving as the main adsorption sites for adsorbate molecules. Furthermore, the rate at which H2 diffuses is higher than that of N2. The study of redistribution charge before and after adsorption demonstrated that N2 has a greater affinity for the framework oxygen atoms than H2. This study provides a molecular theoretical foundation for the adsorption behavior of H2-N2 mixture in zeolites.
RESUMEN
Apiospora is widely distributed throughout the world, and usually identified as endophytes, pathogens or saprobes. In this study, six strains were isolated from Bambusaceae sp., Prunus armeniaca, Salix babylonica and saprophytic leaves in Shandong Province, China. Three new species were identified based on a multi-locus gene phylogenetic analysis using a combined dataset of ITS, LSU, TEF1α and TUB2 in conjunction with morphological assessments. Apiospora armeniaca sp. nov., Apiospora babylonica sp. nov., and Apiospora jinanensis sp. nov. have been comprehensively described and illustrated, representing significant additions to the existing taxonomy.
RESUMEN
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.