Hydration Thermodynamics of High Temperature Proton Conductors (HydraThermPro)
HydraThermPro is founded in experimental and computational approaches combined in an integrated effort to understand and predict the thermodynamics of dissolution of proton at high temperature.
About the project
HydraThermPro aims to derive correlations between the thermodynamics of proton dissolution and chemical and physical properties, primarily for oxides. This comprehension will be achieved by integrating novel experimental and computational approaches. Hydration thermodynamics will be determined directly by TG-DSC and compared to similar values calculated by DFT based modeling packages. Reliable correlations between the essential parameters of proton conduction and other materials properties will strengthen the predictive power in deriving new and improved high temperature proton conductors. HydraThermPro will, as such, contribute significantly to succeed in the development of technologies for an environment-friendly energy production.
The principal objective is to test and derive hypothesis for which parameters that favor dissolution of protons in oxides.
From state-of-the-art the following hypothesis, relating physical and chemical materials parameters to the hydration thermodynamcs of high-temperature proton conductors, will be addressed:
The hydration enthalpy:
- correlates to the difference in electronegativity of B- and A-site cations; large difference yields less stable protons
- correlates to the formation enthalpy of the oxides; more stable oxides less stable protons
- correlates to the structure of the material; less symmetry more stable protons
- is correlated to the hydration entropy.
The project period is from July 1st 2012 and until June 30th 2016.
The project is funded by the Reseach Council of Norway, under the FRINATEK programme