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

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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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All Science Journal Classification (ASJC) codes

  • Inorganic Chemistry

Cite this

Yoon, J. W., Lee, J. S., Piburn, G. W., Cho, K. H., Jeon, K., Lim, H. K., Kim, H., Jun, C. H., Humphrey, S. M., Krishna, R., & Chang, J. S. (2017). Highly selective adsorption of: P -xylene over other C8 aromatic hydrocarbons by Co-CUK-1: A combined experimental and theoretical assessment. Dalton Transactions, 46(46), 16096-16101. https://doi.org/10.1039/c7dt03304d