Adsorption of toluene and water over cationic-exchanged y zeolites: a dft exploration

HIGHLIGHTS

• who: Etienne P. Hessou and colleagues from the Laboratoire de Physique et Chimie Théoriques, Faculté des Sciences et Technologies, CNRS have published the research: Adsorption of Toluene and Water over Cationic-Exchanged Y Zeolites: A DFT Exploration, in the Journal: Molecules 2021, 5486 of /2021/
• what: More importantly the authors show that water presents no inhibitory effect on the adsorption of toluene where interaction energies of this latter were 10 kJ/mol (LiY) to 47 kJ/mol (CsY) higher than those of water. The authors investigate the adsorption mechanisms of toluene and water in . . .
  

   

  

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