Diphenyl Ether Derivatives as Potential Liquid Organic Hydrogen Carriers: Thermochemical and Computational Study

Autor:	Riko Siewert, Andrey A. Pimerzin, Hongda Cao, Jason E. Bara, Sergey P. Verevkin, Vladimir N. Emel’yanenko
Rok vydání:	2019
Předmět:	Hydrogen storage chemistry.chemical_compound Differential scanning calorimetry Chemistry General Chemical Engineering Diphenyl ether Physical chemistry Ether Dehydrogenation Sublimation (phase transition) General Chemistry Calorimetry Standard enthalpy of formation
Zdroj:	Journal of Chemical & Engineering Data. 65:1108-1116
ISSN:	1520-5134 0021-9568
DOI:	10.1021/acs.jced.9b00502
Popis:	The liquid organic hydrogen carriers (LOHCs) are promising materials for hydrogen storage. The standard molar enthalpies of formation, ΔfHmo(liq/cr) of diphenyl ether substituted with methyl, methoxy, and hydroxyl substituents were measured by the high-precision combustion calorimetry. Enthalpies of vaporization/sublimation Δl,crgHmo(298.15 K) of these compounds were obtained by the transpiration method. Enthalpies of fusion of 2- and 4-hydroxy-diphenyl ether were measured by differential scanning calorimeter. Gas-phase enthalpies of formation ΔfHmo(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 hy...
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::cad0afcd5dd1e002051e98dc0d94fb20 https://doi.org/10.1021/acs.jced.9b00502 Zobrazit plný text záznamu