Details

Autor(en) / Beteiligte

• Dematteis, Erika M.
• Jensen, Steffen R.
• Jensen, Torben R.
• Baricco, Marcello

Titel

Heat capacity and thermodynamic properties of alkali and alkali-earth borohydrides

Ist Teil von

• The Journal of chemical thermodynamics, 2020-04, Vol.143, p.106055, Article 106055

Ort / Verlag

Elsevier Ltd

Erscheinungsjahr

2020

Quelle

Alma/SFX Local Collection

Beschreibungen/Notizen

• •The above room temperature heat capacity, Cp, for Na, K, Rb, Cs, Mg, Ca borohydrides has been measured by DSC as a function of temperature.•The measured Cp values have been compared with available extrapolated literature data, and they have been modelled as a function of temperature according to the Calphad method.•The variations of Cp values for different polymorphs were studied in details and related to the corresponding crystal structures, considering the mobility of the BH4- group.•From the whole set of assessed thermodynamic data, possible correlations with dynamics and structural properties have been estimated. In this work, the above room temperature heat capacity for different polymorphs of alkali and alkali-earth (i.e. Na, K, Rb, Cs, Mg, Ca) borohydrides has been measured by DSC as a function of temperature. The above room temperature measured Cp values have been compared with available extrapolated literature data, and they have been modelled as a function of temperature according to the Calphad method. The variations of Cp values for different polymorphs were studied in details and they have been related to the corresponding crystal structures, considering the mobility of the BH4− group. From the whole set of assessed thermodynamic data, possible correlations with dynamics and structural properties have been estimated.