Highly selective adsorption of: P -xylene over other C8 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 journalArticlepeer-review

14 Citations (Scopus)


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
Issue number46
Publication statusPublished - 2017

Bibliographical note

Funding Information:
We would like to acknowledge the financial support from the Center for Hybrid Interface Materials (HIM) for the Global Frontier R&D Program (2013M3A6B1073298, 2013M3A6B1078884) and DRC Program (SKM-1503), funded by the Ministry of Science, ICT & Future Planning, and the Welch Foundation (F-1738).

Publisher Copyright:
© The Royal Society of Chemistry 2017.

All Science Journal Classification (ASJC) codes

  • Inorganic Chemistry


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