Highly selective adsorption of: P -xylene over other C 8 aromatic hydrocarbons by Co-CUK-1: A combined experimental and theoretical assessment

Ji Woong Yoon, Ji Sun Lee, Graham W. Piburn, Kyoung Ho Cho, Keonghee Jeon, Hyung Kyu Lim, Hyungjun Kim, Chul-Ho Jun, Simon M. Humphrey, Rajamani Krishna, Jong San Chang

Research output: Contribution to journalArticle

7 Citations (Scopus)

Abstract

High quality crystalline Co-CUK-1 can be synthesized rapidly and efficiently by a microwave-assisted method. The resulting microporous coordination material is a highly effective adsorbent for the separation of xylene isomers and ethylbenzene, as demonstrated here through sorption isotherm analysis, Ideal Adsorbed Solution Theory (IAST) calculations, and grand canonical Monte Carlo (GCMC) simulations. Co-CUK-1 showed high sorption capacity and high adsorption selectivity for p-xylene over the corresponding m- and o-isomers, and ethylbenzenes. According to the data obtained from IAST and GCMC simulations, the Co-CUK-1 is found to strongly favour p-xylene adsorption because p-xylene molecules undergo well-defined molecular packing in the 1-D channels; by comparison, the packing efficiencies of o-xylene, m-xylene and ethylbenzene are significantly lower, as is evidenced by lower saturation capacities.

Original languageEnglish
Pages (from-to)16096-16101
Number of pages6
JournalDalton Transactions
Volume46
Issue number46
DOIs
Publication statusPublished - 2017 Jan 1

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Aromatic Hydrocarbons
Xylenes
Adsorption
Isomers
Sorption
Adsorbents
Isotherms
Microwaves
Crystalline materials
Molecules
4-xylene
ethylbenzene
Monte Carlo simulation

All Science Journal Classification (ASJC) codes

  • Inorganic Chemistry

Cite this

Yoon, Ji Woong ; Lee, Ji Sun ; Piburn, Graham W. ; Cho, Kyoung Ho ; Jeon, Keonghee ; Lim, Hyung Kyu ; Kim, Hyungjun ; Jun, Chul-Ho ; Humphrey, Simon M. ; Krishna, Rajamani ; Chang, Jong San. / Highly selective adsorption of : P -xylene over other C 8 aromatic hydrocarbons by Co-CUK-1: A combined experimental and theoretical assessment. In: Dalton Transactions. 2017 ; Vol. 46, No. 46. pp. 16096-16101.
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Yoon, JW, Lee, JS, Piburn, GW, Cho, KH, Jeon, K, Lim, HK, Kim, H, Jun, C-H, Humphrey, SM, Krishna, R & Chang, JS 2017, 'Highly selective adsorption of: P -xylene over other C 8 aromatic hydrocarbons by Co-CUK-1: A combined experimental and theoretical assessment', Dalton Transactions, vol. 46, no. 46, pp. 16096-16101. https://doi.org/10.1039/c7dt03304d

Highly selective adsorption of : P -xylene over other C 8 aromatic hydrocarbons by Co-CUK-1: A combined experimental and theoretical assessment. / Yoon, Ji Woong; Lee, Ji Sun; Piburn, Graham W.; Cho, Kyoung Ho; Jeon, Keonghee; Lim, Hyung Kyu; Kim, Hyungjun; Jun, Chul-Ho; Humphrey, Simon M.; Krishna, Rajamani; Chang, Jong San.

In: Dalton Transactions, Vol. 46, No. 46, 01.01.2017, p. 16096-16101.

Research output: Contribution to journalArticle

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AU - Lim, Hyung Kyu

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