ab initio Thermodynamic Study of the CO2 Capture …
· CaCO MgO CO CaMg(CO )32 32 (b) Assuming the difference between the chemical potential of solid phases (M2CO3, CaCO3, MgO, M2Mg(CO3)2, and CaMg(CO3)2) can be approximated by the differences in their electronic energies (ΔEDFT), entropies (ΔS PH), and