

You have already added 0 works in your ORCID record related to the merged Research product.
You have already added 0 works in your ORCID record related to the merged Research product.
<script type="text/javascript">
<!--
document.write('<div id="oa_widget"></div>');
document.write('<script type="text/javascript" src="https://beta.openaire.eu/index.php?option=com_openaire&view=widget&format=raw&projectId=undefined&type=result"></script>');
-->
</script>
An Active Alkali-Exchanged Faujasite Catalyst for p-Xylene Production via the One-Pot Diels–Alder Cycloaddition/Dehydration Reaction of 2,5-Dimethylfuran with Ethylene

pmid: 29430331
pmc: PMC5805402
An Active Alkali-Exchanged Faujasite Catalyst for p-Xylene Production via the One-Pot Diels–Alder Cycloaddition/Dehydration Reaction of 2,5-Dimethylfuran with Ethylene
The one-pot Diels-Alder cycloaddition (DAC)/dehydration (D) tandem reaction between 2,5-dimethylfuran and ethylene is a potent pathway toward biomass-derived p-xylene. In this work, we present a cheap and active low-silica potassium-exchanged faujasite (KY, Si/Al = 2.6) catalyst. Catalyst optimization was guided by a computational study of the DAC/D reaction mechanism over different alkali-exchanged faujasites using periodic density functional theory calculations complemented by microkinetic modeling. Two types of faujasite models were compared, i.e., a high-silica alkali-exchanged faujasite model representing isolated active cation sites and a low-silica alkali-exchanged faujasite in which the reaction involves several cations in the proximity. The mechanistic study points to a significant synergetic cooperative effect of the ensemble of cations in the faujasite supercage on the DAC/D reaction. Alignment of the reactants by their interactions with the cationic sites and stabilization of reaction intermediates contribute to the high catalytic performance. Experiments confirmed the prediction that KY is the most active catalyst among low-silica alkali-exchanged faujasites. This work is an example of how the catalytic reactivity of zeolites depends on multiple interactions between the zeolite and reagents.
- ITMO University Russian Federation
- Vrije Universiteit Brussel Belgium
- Delft University of Technology Netherlands
- Eindhoven University of Technology Netherlands
- Technical University Eindhoven Netherlands
biomass, Diels-Alder, 540, DFT calculations, Catalysis, confinement effects, Journal Article, structure-activity relations
biomass, Diels-Alder, 540, DFT calculations, Catalysis, confinement effects, Journal Article, structure-activity relations
12 Research products, page 1 of 2
- 1993IsAmongTopNSimilarDocuments
- 1998IsAmongTopNSimilarDocuments
- 1994IsAmongTopNSimilarDocuments
- 2003IsAmongTopNSimilarDocuments
- 2013IsAmongTopNSimilarDocuments
- 2016IsAmongTopNSimilarDocuments
- 2018IsAmongTopNSimilarDocuments
- 2018IsAmongTopNSimilarDocuments
- 1984IsAmongTopNSimilarDocuments
chevron_left - 1
- 2
chevron_right
citations This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).55 popularity This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.Top 10% influence This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).Top 10% impulse This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.Top 10% visibility views 4 download downloads 3 - 4views3downloads
Data source Views Downloads TU Delft Repository 4 3


