Multiscale Modeling of Molecular Sieving in LTA-type Zeolites : From the Quantum Level to the Macroscopic

Multiscale Modeling of Molecular Sieving in LTA-type Zeolites : From the Quantum Level to the Macroscopic

LTA-type zeolites with narrow window apertures coinciding with the approximate size of small gaseous molecules such as CO2 and N2 are interesting candidates for adsorbents with swing adsorption technologies due to their molecular sieving capabilities and otherwise attractive properties. These sievin...

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Bibliographic Details
Main Author: Mace, Amber
Format: Doctoral Thesis
Language:English
Published: Stockholms universitet, Institutionen för material- och miljökemi (MMK) 2015
Subjects:
CO2 separation
carbon capture
kinetic sieving
Zeolite A
Zeolite NaKA
cation exchange
temporal coarse graining
Kinetic Monte Carlo
Molecular Dynamics
AIMD
DFT
Online Access:http://urn.kb.se/resolve?urn=urn:nbn:se:su:diva-113024
http://nbn-resolving.de/urn:isbn:978-91-7649-081-5

Internet

http://urn.kb.se/resolve?urn=urn:nbn:se:su:diva-113024
http://nbn-resolving.de/urn:isbn:978-91-7649-081-5

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