Liquid organic hydrogen carriers: Hydrogen storage by di-phenyl ether derivatives: An experimental and theoretical study. (May 2020)

• Record Type: Journal Article
• Authors: Verevkin, Sergey P.; Pimerzin, Andrey A.; Sun, Li-Xian
• Is Part Of: Journal of chemical thermodynamics. Volume 144(2020)
• Publication Date: 2020-05
• Subjects: Hydrogen storage -- Liquid organic hydrogen carriers -- Experimental thermochemistry -- Quantum-chemical calculations; Thermodynamics -- Periodicals; Thermochemistry -- Periodicals; Thermodynamique -- Périodiques; Thermochimie -- Périodiques; Thermochemistry; Thermodynamics; Periodicals; 541.369
• DOI: 10.1016/j.jct.2020.106057
• Languages: English
• ISSNs: 0021-9614

Abstract

Highlights: Combustion experiments were performed on seminal LOHC. Vapor pressures of LOHC measured by transpiration method. Thermodynamic properties were derived and validated using G4. Energetics of reversible hydrogenation reactions was discussed. Abstract: The liquid organic hydrogen carriers (LOHCs) are promising materials for hydrogen storage. The standard molar enthalpies of formation, Δ f H m o (liq/cr) of diphenyl ether substituted with amino substituents were measured by the high-precision combustion calorimetry. Enthalpies of vaporisation/sublimation Δ l, c r g H m o (298.15 K) of these compounds were obtained by the transpiration method. Enthalpies of fusion were measured by DSC. Gas-phase enthalpies of formation Δ f H m o (g, 298.15 K) of substituted diphenyl ethers calculated by the G4 method were in an excellent agreement with the experimental results. Enthalpies of the hydrogenation/dehydrogenation reactions of diphenyl ether derivatives were estimated and compared with the data available for other potential LOHC. A set of thermodynamic properties of diphenyl ether derivatives of benchmark quality was recommended for thermochemical calculations. Equilibrium temperatures of hydrogenation/dehydrogenation processes were calculated and compared with those of benzene derivatives. Due to the high hydrogen storage capacity, as well as very low volatility, these compounds could be considered as seminal candidates for LOHC.