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Title: Structure and Thermal Stability of (H 2O) 4 Tetrahedron and (H 2O) 6 Hexagon Adsorbed on NaY Zeolite Studied by Synchrotron-Based Time-Resolved X-ray Diffraction

Water adsorption and desorption features play an important role in determining the adsorptive and catalytic properties of zeolites. In this study, the extraframework structure (water and cations) in NaY faujasite zeolite was studied by synchrotron-based in situ time-resolved X-ray diffraction (TR-XRD) in combination with the Rietveld refinement method. It was observed that Na cations locating at different sites migrated between each other during the dehydration process. Water molecules at three separate sites showed interesting geometries: (H 2O) 4 tetrahedron W1, (H 2O) 6 ice-like hexagonal W2, and disordered triangle W3. Interactions between each form of water and Na cations were deeply investigated. Here, the stability of the waters followed the sequence of W1 > W3 > W2. This work provides insights into both framework structure and cation positions of model zeolite under actual working conditions, which helps fully understand the properties of zeolites.
Authors:
ORCiD logo [1] ;  [2] ; ORCiD logo [1]
  1. New Jersey Institute of Technology, Newark, NJ (United States)
  2. Brookhaven National Lab. (BNL), Upton, NY (United States)
Publication Date:
Report Number(s):
BNL-207857-2018-JAAM
Journal ID: ISSN 0888-5885
Grant/Contract Number:
SC0012704
Type:
Accepted Manuscript
Journal Name:
Industrial and Engineering Chemistry Research
Additional Journal Information:
Journal Volume: 57; Journal Issue: 14; Journal ID: ISSN 0888-5885
Publisher:
American Chemical Society (ACS)
Research Org:
Brookhaven National Laboratory (BNL), Upton, NY (United States)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY
OSTI Identifier:
1460825

Hu, Maocong, Hanson, Jonathan C., and Wang, Xianqin. Structure and Thermal Stability of (H2O)4 Tetrahedron and (H2O)6 Hexagon Adsorbed on NaY Zeolite Studied by Synchrotron-Based Time-Resolved X-ray Diffraction. United States: N. p., Web. doi:10.1021/acs.iecr.8b00483.
Hu, Maocong, Hanson, Jonathan C., & Wang, Xianqin. Structure and Thermal Stability of (H2O)4 Tetrahedron and (H2O)6 Hexagon Adsorbed on NaY Zeolite Studied by Synchrotron-Based Time-Resolved X-ray Diffraction. United States. doi:10.1021/acs.iecr.8b00483.
Hu, Maocong, Hanson, Jonathan C., and Wang, Xianqin. 2018. "Structure and Thermal Stability of (H2O)4 Tetrahedron and (H2O)6 Hexagon Adsorbed on NaY Zeolite Studied by Synchrotron-Based Time-Resolved X-ray Diffraction". United States. doi:10.1021/acs.iecr.8b00483.
@article{osti_1460825,
title = {Structure and Thermal Stability of (H2O)4 Tetrahedron and (H2O)6 Hexagon Adsorbed on NaY Zeolite Studied by Synchrotron-Based Time-Resolved X-ray Diffraction},
author = {Hu, Maocong and Hanson, Jonathan C. and Wang, Xianqin},
abstractNote = {Water adsorption and desorption features play an important role in determining the adsorptive and catalytic properties of zeolites. In this study, the extraframework structure (water and cations) in NaY faujasite zeolite was studied by synchrotron-based in situ time-resolved X-ray diffraction (TR-XRD) in combination with the Rietveld refinement method. It was observed that Na cations locating at different sites migrated between each other during the dehydration process. Water molecules at three separate sites showed interesting geometries: (H2O)4 tetrahedron W1, (H2O)6 ice-like hexagonal W2, and disordered triangle W3. Interactions between each form of water and Na cations were deeply investigated. Here, the stability of the waters followed the sequence of W1 > W3 > W2. This work provides insights into both framework structure and cation positions of model zeolite under actual working conditions, which helps fully understand the properties of zeolites.},
doi = {10.1021/acs.iecr.8b00483},
journal = {Industrial and Engineering Chemistry Research},
number = 14,
volume = 57,
place = {United States},
year = {2018},
month = {3}
}