Thermodynamic simulation of oxide ionic equilibria in mixtures of alkali element carbonates

The thermodynamic simulation of equilibriums in the system O₂ + СO₂ gas mixture – molten alkali carbonates has been performed. Two schemes were proposed to calculate the chemical equilibriums: CO₃^2- = О^2- + CO₂, O₂^2- = O₂^2- + 1/2O₂, 2O₂^- = О^2- + 3/2O₂. Concentrations of oxide, peroxide and superoxide ions and standard electrode potentials were calculated as a function of melt composition, partial pressure of O₂ and CO₂ . Solubility of molecular oxygen was assessed using hard-sphere based scheme. Results of the simulation were compared with the data obtained through conventional thermodynamic calculations and with experiment.

Authors:

Nekrasov V. N., Institute of high-temperature Electrochemistry UB of RAS, 20, Akademicheskaya St., Yekaterinburg, 620990

Terent'ev D. I., Institute of high-temperature Electrochemistry UB of RAS, 20, Akademicheskaya St., Yekaterinburg, 620990

Batalov Nikolai Nikolaevich, Institute of high-temperature Electrochemistry UB of RAS, 20, Akademicheskaya St., Yekaterinburg, 620990, batalov@ihim.uran.ru

Barbin N. M., Institute of high-temperature Electrochemistry UB of RAS, 20, Akademicheskaya St., Yekaterinburg, 620990

Konopel'ko Maksim Alekseevich, Institute of high-temperature Electrochemistry UB of RAS, 20, Akademicheskaya St., Yekaterinburg, 620990, konopelko@ihte.uran.ru

Journal issue:

2002. Т. 2, № 1,