fulltext.study @t Gmail

Theoretical investigation of layered zeolite frameworks: Surface properties of 2D zeolites

Paper ID Volume ID Publish Year Pages File Format Full-Text
54151 46999 2014 7 PDF Available
Title
Theoretical investigation of layered zeolite frameworks: Surface properties of 2D zeolites
Abstract

•Surface properties of 2D-zeolites (synthesized and hypothetical) are reported.•A novel method for accurate calculations of adsorption enthalpies is proposed.•Effects contributing to changes in binding energies are described and analyzed.

Surface properties of layered zeolite frameworks, or 2D zeolites, derived from zeolites UTL and ITH are probed by interaction with several small molecules (CH4, CO2, H2O, H2, N2). The dominant feature of the 2D zeolites is the dense grid of the surface silanol groups formed after dissolution of the double 4-member ring building units of the parent 3D zeolites. Compared to the original 3D zeolite frameworks, several distinctive effects contribute to the changes in binding energies: (i) hydrogen-bond and electrostatic interactions with surface silanols, (ii) the confined space effect enhancing dispersion interactions in 3D zeolites and (iii) structural flexibility of 2D zeolites.

Graphical abstractFigure optionsDownload full-size imageDownload high-quality image (121 K)Download as PowerPoint slide

Keywords
Layered zeolite frameworks; Surface properties; 2D zeolites
First Page Preview
Theoretical investigation of layered zeolite frameworks: Surface properties of 2D zeolites
Get Full-Text Now
Don't Miss Today's Special Offer
Price was $35.95
You save - $31
Price after discount Only $4.95
100% Money Back Guarantee
Full-text PDF Download
Online Support
Any Questions? feel free to contact us
Publisher
Database: Elsevier - ScienceDirect
Journal: Catalysis Today - Volume 227, 15 May 2014, Pages 2–8
Authors
, , , ,
Subjects
Physical Sciences and Engineering Chemical Engineering Catalysis
Get Full-Text Now
Don't Miss Today's Special Offer
Price was $35.95
You save - $31
Price after discount Only $4.95
100% Money Back Guarantee
Full-text PDF Download
Online Support
Any Questions? feel free to contact us