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Kwak, Sang Kyu
Kyu’s MolSim Lab @ UNIST
Research Interests
  • Molecular modeling and simulation, statistical thermodynamics, molecular physics

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A study on hydrogen uptake and release of a eutectic mixture of biphenyl and diphenyl ether

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Title
A study on hydrogen uptake and release of a eutectic mixture of biphenyl and diphenyl ether
Author
Jang, MunjeongShin, Byeong SooJo, Young SukKang, Jeong WonKwak, Sang KyuYoon, Chang WonJeong, Hyangsoo
Issue Date
2020-03
Publisher
Elsevier B.V.
Citation
JOURNAL OF ENERGY CHEMISTRY, v.42, pp.11 - 16
Abstract
Hydrogen storage in Liquid Organic Hydrogen Carrier (LOHC) systems is appealing for the safe storage and distribution of excess renewable energy via existing gasoline infrastructures to end-users. We present the eutectic mixture of biphenyl and diphenyl ether of its first use as a LOHC material. The material is hydrogenated with 99% selectivity without the cleavage of C–O bond, with commercial heterogeneous catalysts, which is confirmed by nuclear magnetic spectroscopy and gas chromatography-mass spectrometry. Equilibrium concentration, dehydrogenation enthalpy, and thermo-neutral temperature are calculated using a density functional theory. The results indicate that O-atom-containing material exhibits more favorable dehydrogenation thermodynamics than that of the hydrocarbon analogue. The H2-rich material contains 6.8 wt% of gravimetric hydrogen storage capacity. A preliminary study of catalytic dehydrogenation on a continuous reactor is presented to demonstrate a reversibility of this material.
URI
https://scholarworks.unist.ac.kr/handle/201301/27446
URL
https://www.sciencedirect.com/science/article/pii/S2095495619303249?via%3Dihub
DOI
10.1016/j.jechem.2019.05.024
ISSN
2095-4956
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