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Regeneration mechanisms of high-lithium content zirconates as CO2 capture sorbents: experimental measurements and theoretical investigations.

By combining TGA and XRD measurements with theoretical calculations of the capture of CO2 by lithium-rich zirconates (Li8ZrO6 and Li6Zr2O7), it has been demonstrated that the primary regeneration product during absorption/desorption cycling is in the form of Li2ZrO3. During absorption/desorption cycles, lithium-rich zirconates will be consumed and will not be regenerated. This result indicates that among known lithium zirconates, Li2ZrO3 is the best sorbent for CO2 capture.