Carbonate “door” in the NaKA zeolite as the reason of higher CO2 uptake relative to N2

[Display omitted] ► The carbonate influence on the alkali cation mobility is first shown. ► Both isolated cluster and periodic modeling is performed. ► Variation of pore size explains unusual measured CO2/N2 separation coefficients. ► Traces of carbonates can require to analyze binary mixture instea...

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Bibliographic Details

Published in:	Microporous and mesoporous materials Vol. 162; pp. 98 - 104
Main Authors:	Larin, Alexander V., Mace, Amber, Rybakov, Andrey A., Laaksonen, Aatto
Format:	Journal Article
Language:	English
Published:	Elsevier Inc 01-11-2012
Subjects:	Alkali form Carbon dioxide Linde type zeolite Periodic density functional calculations Separation Separation Linde type zeolite Alkali form Periodic density functional calculations Carbon dioxide
Online Access:	Get full text
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