Predictive Guide for Collective CO2Adsorption Properties of Mg-Al Mixed Oxides.
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 CO2adsorption 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 CO2adsorptive capacity trend, providing a predictive guide for the development of solid adsorbents for gas-adsorption processes.
Samsung Advanced Institute of Technology, Samsung Electronics Co., Ltd, 130 Samsung-ro, Yeongtong-gu, Suwon-si, Gyeonggi-do, 16678, Republic of Korea.
Hyuk Jae
0000-0002-7915-1383
HJ
Kwon
Samsung Advanced Institute of Technology, Samsung Electronics Co., Ltd, 130 Samsung-ro, Yeongtong-gu, Suwon-si, Gyeonggi-do, 16678, Republic of Korea.|Department of Civil and Environmental Engineering, Pusan National University, 2 Busandehak-ro, 63 beon-gil, Geumjeong-gu, Busan, 46241, Republic of Korea.
Soonchul
S
Kwon
Samsung Advanced Institute of Technology, Samsung Electronics Co., Ltd, 130 Samsung-ro, Yeongtong-gu, Suwon-si, Gyeonggi-do, 16678, Republic of Korea.|Department of Energy Science and Technology, Myongji University, 116 Myongji-ro, Cheoin-gu, Yongin-si, Gyeonggi-do, 17058, Republic of Korea.
Jeong Gil
JG
Seo
Samsung Advanced Institute of Technology, Samsung Electronics Co., Ltd, 130 Samsung-ro, Yeongtong-gu, Suwon-si, Gyeonggi-do, 16678, Republic of Korea.
In Sun
IS
Jung
Samsung Advanced Institute of Technology, Samsung Electronics Co., Ltd, 130 Samsung-ro, Yeongtong-gu, Suwon-si, Gyeonggi-do, 16678, Republic of Korea.
You-Hwan
YH
Son
Department of Chemical and Biological Engineering, Korea University, 145 Anam-ro, Seongbuk-gu, Seoul, 02841, Republic of Korea.
Chan Hyun
CH
Lee
Department of Chemical and Biological Engineering, Korea University, 145 Anam-ro, Seongbuk-gu, Seoul, 02841, Republic of Korea.
Ki Bong
KB
Lee
Samsung Advanced Institute of Technology, Samsung Electronics Co., Ltd, 130 Samsung-ro, Yeongtong-gu, Suwon-si, Gyeonggi-do, 16678, Republic of Korea.
Hyun Chul
0000-0002-8838-4752
HC
Lee
D000327:Adsorption; D000537:Aluminum Oxide / Q000737:chemistry*; D002245:Carbon Dioxide / Q000737:chemistry*; D008277:Magnesium Oxide / Q000737:chemistry*; D009682:Magnetic Resonance Spectroscopy; D046529:Microscopy, Electron, Transmission
D002245:Carbon Dioxide; D008277:Magnesium Oxide; D000537:Aluminum Oxide
carbon capture; crystal structures; density functional calculations; layered compounds; metal oxides