Thermodynamics of Reversible Hydrogen Storage: Are Methoxy-Substituted Biphenyls Better through Oxygen Functionality?

The reversible hydrogenation/dehydrogenation of aromatic molecules, known as liquid organic hydrogen carriers, is considered as an attractive option for the safe storage and release of elemental hydrogen. The recently reported efficient synthetic routes to obtain methoxy-biphenyls in high yield make...

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Bibliographic Details
Published in:Hydrogen 2023-12, Vol.4 (4), p.862-880
Main Authors: Verevkin, Sergey P., Samarov, Artemiy A., Vostrikov, Sergey V.
Format: Article
Language:English
Subjects:
Alternative energy sources
Chemical engineering
Chemical reactions
Dehydrogenation
Energy resources
enthalpies of phase transitions
Enthalpy
enthalpy of formation
Hydrogen
Hydrogen storage
Hydrogenation
LOHC
Mathematical analysis
Methods
Phase transitions
Quantum chemistry
structure–property correlation
Sublimation
Substitutes
Temperature
Thermodynamic properties
Thermodynamics
Transpiration
Vapor pressure
Vaporization
vapour pressure
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Summary:The reversible hydrogenation/dehydrogenation of aromatic molecules, known as liquid organic hydrogen carriers, is considered as an attractive option for the safe storage and release of elemental hydrogen. The recently reported efficient synthetic routes to obtain methoxy-biphenyls in high yield make them promising candidates for hydrogen storage. In this work, a series of methoxy-substituted biphenyls and their structural parent compounds were studied. The absolute vapour pressures were measured using the transpiration method and the enthalpies of vaporisation/sublimation were determined. We applied a step-by-step procedure including structure–property correlations and quantum chemical calculations to evaluate the quality of thermochemical data on the enthalpies of phase transitions and enthalpies of formation of the studied methoxy compounds. The data sets on thermodynamic properties were evaluated and recommended for calculations in chemical engineering. A thermodynamic analysis of chemical reactions based on methoxy-biphenyls in the context of hydrogen storage was carried out and the energetics of these reactions were compared with the energetics of reactions of common LOHCs. The influence of the position of the methoxy groups in the rings on the enthalpies of the reactions relevant for hydrogen storage was discussed.
ISSN:2673-4141
2673-4141
DOI:10.3390/hydrogen4040052