Thermodynamics of reversible hydrogen storage: Does alkoxy-substitution of naphthalene yield functional advantages for LOHC systems?

Sergey P Verevkin; Artemiy A Samarov; Sergey V Vostrikov

doi:10.1063/5.0200047

Thermodynamics of reversible hydrogen storage: Does alkoxy-substitution of naphthalene yield functional advantages for LOHC systems?

J Chem Phys. 2024 Apr 21;160(15):154709. doi: 10.1063/5.0200047.

Authors

Sergey P Verevkin^{1

2}, Artemiy A Samarov³, Sergey V Vostrikov⁴

Affiliations

¹ Competence Centre CALOR of Faculty of Interdisciplinary Research at University of Rostock, 18059 Rostock, Germany.
² Department of Physical Chemistry, Kazan Federal University, 420008 Kazan, Russia.
³ Saint Petersburg State University, Peterhof, 198504 Saint Petersburg, Russia.
⁴ Chemical-Technological Department, Samara State Technical University, 443100 Samara, Russia.

PMID: 38629611
DOI: 10.1063/5.0200047

Abstract

The reversible hydrogenation/dehydrogenation of aromatic molecules, known as liquid organic hydrogen carriers (LOHCs), is considered an attractive option for the safe storage and release of elemental hydrogen. The LOHC systems based on the alkoxy-naphthalene/alkoxy-decalin studied in this work can become potentially attractive from the point of view of the thermodynamic conditions of the reversible hydrogenation/dehydrogenation processes. This work reports the results of a complex experimental investigation of the thermochemical properties of the reactants of the LOHC systems. The enthalpies of formation were measured using high-precision combustion calorimetry, the enthalpies of vaporization and sublimation were derived from the vapor pressure-temperature dependencies measured using the transpiration method, and the melting temperatures and enthalpies of fusion were measured using the differential scanning calorimetry method. The liquid-phase enthalpies of formation of methoxy- and ethoxy-substituted naphthalenes and methoxy- and ethoxy-substituted decalins were derived and used for the thermodynamic analysis of hydrogenation/dehydrogenation reactions and transferhydrogenation reactions.