Liquid Organic Hydrogen Carriers: Thermophysical and Thermochemical Studies of Carbazole Partly and Fully Hydrogenated Derivatives

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Details zur Publikation

Autor(en): Stark K, Emel'Yanenko VN, Zhabina AA, Varfolomeev MA, Verevkin SP, Müller K, Arlt W
Zeitschrift: Industrial & Engineering Chemistry Research
Verlag: ACS American Chemical Society
Jahr der Veröffentlichung: 2015
Band: 54
Heftnummer: 32
Seitenbereich: 7953-7966
ISSN: 0888-5885


Abstract


Carbazole derivatives are promising liquid organic hydrogen carrier (LOHCs). They can take up and release hydrogen in catalytic hydrogenation/dehydrogenation reactions. The thermophysical properties (heat capacity, density, viscosity, surface tension, and refractive index) of carbazole and N-ethylcarbazole, as well as those of their hydrogenated derivatives, were measured. Furthermore, thermochemical properties (enthalpy of vaporization, sublimation, and fusion) were derived from experiments. Molar enthalpies of formation of the gaseous carbazole derivatives were calculated and validated with high-level quantum chemical calculations. Molar enthalpies of formation data in the liquid phase were derived by combining the high-level quantum chemistry values of the gas-phase enthalpies of formation with experimentally determined enthalpies of vaporization. Thermodynamic analysis of the hydrogenation/dehydrogenation reactions of the carbazole derivatives was performed. This analysis, among others, revealed a rather weak dependence of thermodynamic hydrogen release characteristics on the alkyl chain length. The thermophysical properties of the derivatives show a strong dependence on the degree of hydrogenation. Therefore, the state of hydrogenation should always be considered when dealing with substance properties of LOHCs. Using the data presented in this work, a more reliable process modeling is possible.



FAU-Autoren / FAU-Herausgeber

Arlt, Wolfgang Prof. Dr.-Ing.
Lehrstuhl für Thermische Verfahrenstechnik
Müller, Karsten PD Dr.
Lehrstuhl für Thermische Verfahrenstechnik
Stark, Katharina
Lehrstuhl für Thermische Verfahrenstechnik


Autor(en) der externen Einrichtung(en)
Kazan (Volga region) Federal University / Казанский (Приволжский) федеральный университет
Universität Rostock


Zitierweisen

APA:
Stark, K., Emel'Yanenko, V.N., Zhabina, A.A., Varfolomeev, M.A., Verevkin, S.P., Müller, K., & Arlt, W. (2015). Liquid Organic Hydrogen Carriers: Thermophysical and Thermochemical Studies of Carbazole Partly and Fully Hydrogenated Derivatives. Industrial & Engineering Chemistry Research, 54(32), 7953-7966. https://dx.doi.org/10.1021/acs.iecr.5b01841

MLA:
Stark, Katharina, et al. "Liquid Organic Hydrogen Carriers: Thermophysical and Thermochemical Studies of Carbazole Partly and Fully Hydrogenated Derivatives." Industrial & Engineering Chemistry Research 54.32 (2015): 7953-7966.

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Zuletzt aktualisiert 2018-07-08 um 14:38