Development and application of molecular simulation methods for the screening of industrial zeolite adsorbents

HIGHLIGHTS

  • who: Fuchs A. H. and collaborators from the Laboratoire Chimie Physique (LCP), Université Paris Sud and CNRS, France have published the research: Development and Application of Molecular Simulation Methods for the Screening of Industrial Zeolite Adsorbents, in the Journal: (JOURNAL)
  • what: In Figure 2, the authors show the experimental and simulated distribution of non-framework cations among the different types of crystallographic sites in faujasites with various silicon to aluminium ratios, using the intermolecular potential of Auerbach and co-workers . In this model, the interaction between the zeolitic oxygens and the force centers of the . . .

     

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