Water adsorption in SAPO-34: elucidating the role of local heterogeneities and defects using dispersion-corrected DFT calculations-Reference-Cited by-同舟云学术

Water adsorption in SAPO-34: elucidating the role of local heterogeneities and defects using dispersion-corrected DFT calculations

Published:2015 Issue:38 Volume:17 Page:25260-25271
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Fischer Michael¹²³⁴⁵

Affiliation:

1. Fachgebiet Kristallographie

2. Fachbereich Geowissenschaften

3. Universität Bremen

4. 28359 Bremen

5. Germany

Abstract

The interaction of water with the chabazite-type silicoaluminophosphate SAPO-34 is investigated using first-principles calculations. Models with heterogeneous Si distributions and defects are included, permitting conclusions regarding the influence of variations in the local structure on the water adsorption properties.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2015/CP/C5CP04189A

Reference57 articles.

1. Nanoporous materials with enhanced hydrophilicity and high water sorption capacity

2. Water adsorption characteristics of novel materials for heat transformation applications

3. Cycle stability of sorption materials and composites for the use in heat pumps and cooling machines

4. The Performance of Small-Pore Microporous Aluminophosphates in Low-Temperature Solar Energy Storage: The Structure-Property Relationship

5. Calorimetric investigation on zeolites, AlPO4's and CaCl2 impregnated attapulgite for thermochemical storage of heat

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