| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 6533309 | Microporous and Mesoporous Materials | 2014 | 6 Pages |
Abstract
- We present results of molecular simulations on adsorption of xylene isomers in UiO-66.
- Four different force fields for the xylenes were evaluated.
- Simulations are compared to quaternary adsorption data from breakthrough experiments.
- The experimentally observed ortho-selectivity is confirmed by the simulations.
Related Topics
Physical Sciences and Engineering
Chemical Engineering
Catalysis
Authors
Miguel Angelo Granato, Vanessa Duarte Martins, Alexandre Filipe P. Ferreira, AlÃrio E. Rodrigues,