Hydrogenation of Aromatic Ethers and Lactones: Does the Oxygen Functionality Really Improve the Thermodynamics of Reversible Hydrogen Storage in the Related LOHC Systems?

Siewert R, Samarov AA, Vostrikov SV, Müller K, Wasserscheid P, Verevkin SP (2025)

Publication Type: Journal article

Publication year: 2025

Journal

Oxygen MDPI

Book Volume: 5

Article Number: 18

Journal Issue: 3

DOI: 10.3390/oxygen5030018

Abstract

Compounds known as liquid organic hydrogen carriers (LOHCs) offer a promising pathway for storing hydrogen. Beyond the use of pure hydrocarbons, the incorporation of oxygen atoms offers a way to modify thermodynamic properties and potentially improve suitability for hydrogen storage. This study explores the effect of oxygen functionalization in aromatic ethers and lactones on the reaction equilibrium of reversible hydrogenation. To address this question, reaction enthalpies and entropies are calculated using both experimental and theoretically determined pure substance data. The equilibrium position shift in the hydrogenation of furan derivatives has been shown to follow a similar trend to that of their hydrocarbon counterparts upon the addition of aromatic rings. This shift is, however, more pronounced in the case of the furan-based systems. The effect is reflected in increasing Gibbs reaction energies during the dehydrogenation process. Both the formation of lactones and the addition of a second ring to the furan core leads to a further increase in the Gibbs reaction energy. The highest value is observed for dibenzofuran, with a Gibbs reaction energy of 36.6 kJ∙mol−1 at 500 K. These findings indicate that, from a thermodynamic perspective, hydrogen release is feasible at temperatures below 500 K, which is an important feature for the potential application as a hydrogen storage system.

Authors with CRIS profile

Peter Wasserscheid Lehrstuhl für Chemische Reaktionstechnik (CRT)

Involved external institutions

Universität Rostock DE Germany (DE) Saint Petersburg State University (SPbU) / Санкт-Петербургский государственный университет (СПбГУ) RU Russian Federation (RU) Samara State Technical University (SSTU) / Samara Polytech / Сама́рский госуда́рственный техни́ческий университе́т (СамГТУ) RU Russian Federation (RU)

How to cite

APA:

Siewert, R., Samarov, A.A., Vostrikov, S.V., Müller, K., Wasserscheid, P., & Verevkin, S.P. (2025). Hydrogenation of Aromatic Ethers and Lactones: Does the Oxygen Functionality Really Improve the Thermodynamics of Reversible Hydrogen Storage in the Related LOHC Systems? Oxygen, 5(3). https://doi.org/10.3390/oxygen5030018

MLA:

Siewert, Riko, et al. "Hydrogenation of Aromatic Ethers and Lactones: Does the Oxygen Functionality Really Improve the Thermodynamics of Reversible Hydrogen Storage in the Related LOHC Systems?" Oxygen 5.3 (2025).

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