Thermodynamic and kinetic study of the effect of LiCl and NaCl on the thermal dehydrogenation of Ca(AlH4)2

Franziska Habermann; Anneliese Wirth; Konrad Burkmann; Jakob Kraus; Bianca Störr; Hartmut Stöcker; Jürgen Seidel; Jens Kortus; Roman Gumeniuk; Klaus Bohmhammel; Florian Mertens

doi:10.1039/D4MR00140K

Thermodynamic and kinetic study of the effect of LiCl and NaCl on the thermal dehydrogenation of Ca(AlH₄)₂†

Franziska Habermann,^a Anneliese Wirth,^a Konrad Burkmann,

^a Jakob Kraus,

^b Bianca Störr,^a Hartmut Stöcker,

^cd Jürgen Seidel,^a Jens Kortus,

^b Roman Gumeniuk,

^c Klaus Bohmhammel^a and Florian Mertens

*^a

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* Corresponding authors

^a Institut für Physikalische Chemie, TU Bergakademie Freiberg, Lessingstraße 45, 09599 Freiberg, Germany
E-mail: florian.mertens@chemie.tu-freiberg.de
Tel: +493731393737

^b Institut für Theoretische Pysik, TU Bergakademie Freiberg, Leipziger Straße 23, 09599 Freiberg, Germany

^c Institut für Experimentelle Pysik, TU Bergakademie Freiberg, Leipziger Straße 23, 09599 Freiberg, Germany

^d Center for Efficient High Temperature Processes and Materials Conversion, TU Bergakademie Freiberg, Winklerstraße 5, 09599 Freiberg, Germany

Abstract

The presented work sets out to investigate the dehydrogenation behaviour of Ca(AlH₄)₂ + 2MCl (M = Li, Na) mixtures. In contrast to the by-product NaCl, which does not affect the decomposition of Ca(AlH₄)₂, LiCl influences its dehydrogenation onward from the formation of CaAlH₅. Thermodynamic calculations were used to support and explain these findings as well as to investigate the potential of Ca(AlH₄)₂ and CaAlH₅ for reversible hydrogen storage applications. For this purpose, their heat capacity functions and absolute entropies were determined in this study.

RSC Mechanochemistry

Thermodynamic and kinetic study of the effect of LiCl and NaCl on the thermal dehydrogenation of Ca(AlH₄)₂†

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Thermodynamic and kinetic study of the effect of LiCl and NaCl on the thermal dehydrogenation of Ca(AlH₄)₂

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RSC Mechanochemistry