Effects of Framework Flexibility on the Adsorption and Diffusion of Aromatics in MFI-Type Zeolites | Zendy

Sebastián Caro-Ortiz | Zendy; Erik Zuidema | Zendy; Marcello Rigutto | Zendy; David Dubbeldam | Zendy; Thijs J. H. Vlugt | Zendy

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Effects of Framework Flexibility on the Adsorption and Diffusion of Aromatics in MFI-Type Zeolites

Author(s) -

Sebastián Caro-Ortiz,

Erik Zuidema,

Marcello Rigutto,

David Dubbeldam,

Thijs J. H. Vlugt

Publication year - 2020

Publication title -

the journal of physical chemistry c

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 1.401

H-Index - 289

eISSN - 1932-7455

pISSN - 1932-7447

DOI - 10.1021/acs.jpcc.0c08054

Subject(s) - zeolite , flexibility (engineering) , adsorption , diffusion , molecule , materials science , molecular dynamics , chemical physics , chemistry , computational chemistry , chemical engineering , thermodynamics , organic chemistry , catalysis , physics , mathematics , engineering , statistics

We systematically study how the degree of framework flexibility affects the adsorption and diffusion of aromatics in MFI-type zeolites as computed by Monte Carlo simulations. It is observed that as...

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