Study of Speciation and Transport Properties for Different Compositions of Carbonates in Li 2 CO 3 – Na 2 CO 3 and Li 2 CO 3 – K 2 CO 3 Binary Systems at High Temperature in Molten State

Antonii Zhadan (1, 2) , Antoine Carof (3) , Vincent Sarou-Kanian (2) , Leire del Campo (2) , Lionel Cosson (2) , Rodolphe Vuilleumier (4) , Mohammed Malki (2) , Catherine Bessada (2, 5)

1 IMMM - Institut des Molécules et Matériaux du Mans
2 CEMHTI - Conditions Extrêmes et Matériaux : Haute Température et Irradiation
3 LPCT - Laboratoire de Physique et Chimie Théoriques
4 PASTEUR - Processus d'Activation Sélective par Transfert d'Energie Uni-électronique ou Radiatif (UMR 8640)
5 UO - Université d'Orléans

Molten alkalicarbonates playacentral roleincarbon-capture technologies. Tocharacterize thestructural andtransport properties, weusedNMR, pulsefieldgradient (PFG) NMR, electrical impedancemetry, andmolecular dynamics simulation. Different compositions inLi 2CO3−Na2CO3 andLi 2CO3− K2CO3 binary systems at1003Khavebeenstudied. TheNMRmeasurements confirmed onlythepresence ofanionic species CO32− whatever thecomposition. Somestructural evolution ofK + andLi + cations around theoxygen wasdetected in thecomposition Li2CO3−K2CO3.Withtheaddition ofK 2CO3 inthecarbonate mixture, theinteraction between thecharge carriers present intheliquidincreases andresultsinadecrease ofelectrical conductivity.

Mots clés: Cations; Electrical conductivity; Inorganic carbon compounds; Ions; Mathematical methods

Domaines: Chimie théorique et/ou physique

Antonii Zhadan, Antoine Carof, Vincent Sarou-Kanian, Leire del Campo, Lionel Cosson, et al.. Study of Speciation and Transport Properties for Different Compositions of Carbonates in Li 2 CO 3 – Na 2 CO 3 and Li 2 CO 3 – K 2 CO 3 Binary Systems at High Temperature in Molten State. Journal of Physical Chemistry C, 2023, 127 (23), pp.11186-11194. ⟨10.1021/acs.jpcc.3c01226⟩. ⟨hal-04153425⟩