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Predictive Guide for Collective CO2 Adsorption Properties of Mg-Al Mixed Oxides

Authors
Kwon, Hyuk JaeKwon, SoonchulSeo, Jeong GilJung, In SunSon, You-HwanLee, Chan HyunLee, Ki BongLee, Hyun Chul
Issue Date
22-4월-2017
Publisher
WILEY-V C H VERLAG GMBH
Keywords
carbon capture; crystal structures; density functional calculations; layered compounds; metal oxides
Citation
CHEMSUSCHEM, v.10, no.8, pp.1701 - 1709
Indexed
SCIE
SCOPUS
Journal Title
CHEMSUSCHEM
Volume
10
Number
8
Start Page
1701
End Page
1709
URI
https://scholar.korea.ac.kr/handle/2021.sw.korea/83733
DOI
10.1002/cssc.201601581
ISSN
1864-5631
Abstract
Although solid adsorption processes offer attractive benefits, such as reduced energy demands and penalties compared with liquid absorption processes, there are still pressing needs for solid adsorbents with high adsorption capacities, thermal efficiencies, and energy-intensive regeneration in gas-treatment processes. The CO2 adsorption capacities of layered double oxides (LDOs), which are attractive solid adsorbents, have an asymmetric volcano-type correlation with their relative crystallinities. Furthermore, new collective adsorption properties (adsorption capacity, adsorptive energy and charge-transfer amount based on the adsorbent weight) are proposed based on density functional theory (DFT) calculations and measured surface areas. The correlation of these collective properties with their crystallinities is in good agreement with the experimentally measured CO2 adsorptive capacity trend, providing a predictive guide for the development of solid adsorbents for gas-adsorption processes.
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