Conditions Extrêmes et Matériaux : Haute Température et Irradiation

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Antonii Zhadan*, Antoine Carof, Vincent Sarou-Kanian, Leire del Campo, Lionel Cosson, Rodolphe Vuilleumier, Mohammed Malki, and Catherine Bessada, 'Study of Speciation and Transport Properties for Different Compositions of Carbonates in Li2CO3–Na2CO3 and Li2CO3–K2CO3 Binary Systems at High Temperature in Molten State', J. Phys. Chem. C (2023) doi:10.1021/acs.jpcc.3c01226

Molten alkali carbonates play a central role in carbon-capture technologies. To characterize the structural and transport properties, we used NMR, pulse field gradient (PFG) NMR, electrical impedancemetry, and molecular dynamics simulation. Different compositions in Li2CO3–Na2CO3 and Li2CO3–K2CO3 binary systems at 1003 K have been studied. The NMR measurements confirmed only the presence of anionic species CO32– whatever the composition. Some structural evolution of K+ and Li+ cations around the oxygen was detected in the composition Li2CO3–K2CO3. With the addition of K2CO3 in the carbonate mixture, the interaction between the charge carriers present in the liquid increases and results in a decrease of electrical conductivity.