Furfuryl alcohol as a potential liquid organic hydrogen carrier (LOHC): Thermochemical and computational study

摘要

The liquid organic hydrogen carriers (LOHCs) are considered as a promising materials for hydrogen storage. The liquid phase standard molar enthalpies of formation of furfuryl alcohol and tetrahydrofurfuryl alcohol were obtained from high-precision combustion calorimetry. Their standard molar enthalpies of vaporisation were derived from the vapor pressure temperature dependences measured by the transpiration method. Gas phase molar enthalpies of formation of furfuryl alcohol and tetrahydrofurfuryl alcohol calculated by the high-level quantum-chemical method G4, were in an excellent agreement with the experimental results. Reaction enthalpies and equilibrium temperature of the hydrogenation/dehydrogenation reactions of furfuryl alcohol were calculated and compared with the data for furan and other potential liquid organic hydrogen carriers.