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곽상규

Kwak, Sang Kyu
Kyu’s MolSim Lab @ UNIST
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Preparation of copper-loaded porous carbons through hydrothermal carbonization and ZnCl2 activation and their application to selective CO adsorption: Experimental and DFT calculation studies

Author(s)
Yun, HeesunKim, Yu JinKim, Seung BinYoon, Hyung JinKwak, Sang KyuLee, Ki Bong
Issued Date
2022-03
DOI
10.1016/j.jhazmat.2021.127816
URI
https://scholarworks.unist.ac.kr/handle/201301/55911
Fulltext
https://www.sciencedirect.com/science/article/pii/S0304389421027850?via%3Dihub
Citation
JOURNAL OF HAZARDOUS MATERIALS, v.426, pp.127816
Abstract
CO is used as a raw material to produce valuable chemicals. Adsorption using solid materials can be employed to separate and recover CO from gas mixtures. In this study, cellulose-based, porous carbons were prepared via hydrothermal carbonization and ZnCl2 activation. The prepared porous carbons were used for CO separation after CuCl loading by a facile solid-state dispersion method to induce π-complexation and eventually enhance the affinity toward CO. The sample with the highest CO uptake of 3.62 mmol g−1 at 298 K and 101 kPa had a carbon:CuCl loading ratio of 1:1. This is the highest reported CO adsorption on porous carbons using CuCl as a π-complexation-inducing material. In addition, several factors, including the selectivity of CO against CO2 and the cyclic stability using vacuum regeneration, demonstrated the potential for industrial applications. Density functional theory (DFT) calculations theoretically elucidated that the presence of small and well-dispersed CuCl clusters induce excellent CO-selective adsorption performance, which is in accordance with the experimental results.
Publisher
ELSEVIER
ISSN
0304-3894
Keyword (Author)
COSolid-state dispersionpi-complexationVacuum regenerationDensity functional theory
Keyword
HIGH CO/CO2 SELECTIVITYPI-COMPLEXATIONADSORBENTWASTECU(I)FUELSCUDESULFURIZATIONSEPARATIONPRECURSOR

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