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

Munjeong Jang; Byeong Soo Shin; Young Suk Jo; Jeong Won Kang; Sang Kyu Kwak; Chang Won Yoon; Hyangsoo Jeong

doi:10.1016/j.jechem.2019.05.024

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

Munjeong Jang, Byeong Soo Shin, Young Suk Jo, Jeong Won Kang, Sang Kyu Kwak, Chang Won Yoon, Hyangsoo Jeong

Department of Chemical and Biological Engineering

Research output: Contribution to journal › Article › peer-review

19 Citations (Scopus)

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.

Original language	English
Pages (from-to)	11-16
Number of pages	6
Journal	Journal of Energy Chemistry
Volume	42
DOIs	https://doi.org/10.1016/j.jechem.2019.05.024
Publication status	Published - 2020 Mar

Bibliographical note

Funding Information:
This work was supported by the Technology Development Program to Solve Climate Changes of the National Research Foundation (NRF) funded by the Ministry of Science, ICT, and Future Planning (2015M1A2A2074688), KISTI-HPC (KSC-2018-CRE-0022) for computational resources, as well as the KIST institutional program funded by the Korea Institute of Science and Technology (2E29610).

Funding Information:
This work was supported by the Technology Development Program to Solve Climate Changes of the National Research Foundation (NRF) funded by the Ministry of Science, ICT, and Future Planning ( 2015M1A2A2074688 ), KISTI-HPC (KSC-2018-CRE-0022) for computational resources, as well as the KIST institutional program funded by the Korea Institute of Science and Technology ( 2E29610 ).

Publisher Copyright:
© 2019 Science Press and Dalian Institute of Chemical Physics, Chinese Academy of Sciences

Keywords

Dehydrogenation
Diphenyl ether
Hydrogen storage
Liquid organic hydrogen carrier
Thermodynamics

ASJC Scopus subject areas

Fuel Technology
Energy Engineering and Power Technology
Energy (miscellaneous)
Electrochemistry

UN SDGs

This output contributes to the following UN Sustainable Development Goals (SDGs)

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10.1016/j.jechem.2019.05.024

Cite this

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title = "A study on hydrogen uptake and release of a eutectic mixture of biphenyl and diphenyl ether",

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.",

keywords = "Dehydrogenation, Diphenyl ether, Hydrogen storage, Liquid organic hydrogen carrier, Thermodynamics",

author = "Munjeong Jang and Shin, {Byeong Soo} and Jo, {Young Suk} and Kang, {Jeong Won} and Kwak, {Sang Kyu} and Yoon, {Chang Won} and Hyangsoo Jeong",

note = "Funding Information: This work was supported by the Technology Development Program to Solve Climate Changes of the National Research Foundation (NRF) funded by the Ministry of Science, ICT, and Future Planning (2015M1A2A2074688), KISTI-HPC (KSC-2018-CRE-0022) for computational resources, as well as the KIST institutional program funded by the Korea Institute of Science and Technology (2E29610). Funding Information: This work was supported by the Technology Development Program to Solve Climate Changes of the National Research Foundation (NRF) funded by the Ministry of Science, ICT, and Future Planning ( 2015M1A2A2074688 ), KISTI-HPC (KSC-2018-CRE-0022) for computational resources, as well as the KIST institutional program funded by the Korea Institute of Science and Technology ( 2E29610 ). Publisher Copyright: {\textcopyright} 2019 Science Press and Dalian Institute of Chemical Physics, Chinese Academy of Sciences",

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doi = "10.1016/j.jechem.2019.05.024",

language = "English",

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journal = "Journal of Energy Chemistry",

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AU - Jang, Munjeong

AU - Shin, Byeong Soo

AU - Jo, Young Suk

AU - Kang, Jeong Won

AU - Kwak, Sang Kyu

AU - Yoon, Chang Won

AU - Jeong, Hyangsoo

N1 - Funding Information: This work was supported by the Technology Development Program to Solve Climate Changes of the National Research Foundation (NRF) funded by the Ministry of Science, ICT, and Future Planning (2015M1A2A2074688), KISTI-HPC (KSC-2018-CRE-0022) for computational resources, as well as the KIST institutional program funded by the Korea Institute of Science and Technology (2E29610). Funding Information: This work was supported by the Technology Development Program to Solve Climate Changes of the National Research Foundation (NRF) funded by the Ministry of Science, ICT, and Future Planning ( 2015M1A2A2074688 ), KISTI-HPC (KSC-2018-CRE-0022) for computational resources, as well as the KIST institutional program funded by the Korea Institute of Science and Technology ( 2E29610 ). Publisher Copyright: © 2019 Science Press and Dalian Institute of Chemical Physics, Chinese Academy of Sciences

PY - 2020/3

Y1 - 2020/3

N2 - 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.

AB - 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.

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KW - Diphenyl ether

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SN - 2095-4956

VL - 42

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JF - Journal of Energy Chemistry

ER -

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

Abstract

Bibliographical note

Keywords

ASJC Scopus subject areas

UN SDGs

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