Ontology highlight
ABSTRACT:
SUBMITTER: Rohling RY
PROVIDER: S-EPMC5820756 | biostudies-literature | 2018 Feb
REPOSITORIES: biostudies-literature
Rohling Roderigh Y RY Hensen Emiel J M EJM Pidko Evgeny A EA
Chemphyschem : a European journal of chemical physics and physical chemistry 20171213 4
The catalytic Diels-Alder cycloaddition-dehydration (DACD) reaction of furanics with ethylene is a promising route to bio-derived aromatics. The reaction can be catalyzed by alkali-metal-exchanged faujasites. Herein, the results of periodic DFT calculations based on accurate structural models of alkali-metal-exchanged zeolites are presented, revealing the fundamental roles that confinement and the nature of the exchangeable cations in zeolite micropores have in the performance of faujasite-based ...[more]