We consider the removal of carbon dioxide from high temperature water-air mixtures using calcium-based sorbents. It has been experimentally shown in our prior work that CaO/Zr nanostructured sorbents possess a consistently high capacity to capture carbon dioxide over several high temperature carbonation/decarbonation cycles. In this work, we provide theoretical support for these experimental results by carrying out both equilibrium and kinetic studies. First, we carry out equilibrium calculations by solving to global optimality a Gibbs free energy minimization problem for the multiphase system: N2, O2, CO2, H2O, CaO, CaCO3, Ca(OH)2. Then, we formulate a simple semibatch reactor model for a thermogravimetric analysis (TGA) apparatus in which the carbonation process is carried out. The predictions of the resulting ordinary differential equation based kinetic model for the CaO adsorption process are compared to TGA obtained experimental data.
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