Fundamentals of solar thermochemical gas splitting materials

A Bayesian method for selecting data points for thermodynamic modeling of off-stoichiometric metal oxides

“…The cyclic reduction/re-oxidation of metal oxide (M x O y ) materials forms the backbone of a vast number of chemical processes, such as gas reforming, 1,2 gas separation and pumping, [3][4][5][6][7][8][9] energy production and storage, [10][11][12][13][14][15][16][17] and many catalytic processes, particularly those which operate on Mars-van Krevelen-like mechanisms. [18][19][20][21][22][23][24] The performance of these materials is directly related to their partial molar reduction thermodynamics, i.e.…”

“…Detailed thermodynamic characterization of M x O y reduction/re-oxidation generally consists of careful thermogravimetric analysis (TGA) of mass loss as a function of temperatures and pressures which are t to a thermodynamic model. The most commonly used model is based on van't Hoff analysis, [27][28][29][30][31] which is relatively simple to implement but does not provide temperature dependent information. Conversely, the compound energy formalism (CEF) is more robust, albeit more complicated to t.…”