Study on the Catalytic Decomposition Reaction of N2O on MgO (100) in SO2 and CO Environments

To study the role of MgO in reduction N2O circulating fluidized bed boilers, density functional theory was used to evaluate heterogeneous decomposition. The interference SO2 and CO on considered. (100) is a two-step process that includes O transfer surface recovery processes. rate-determining step with barrier energy 1.601 eV, while for Langmuir–Hinshelwood Eley–Rideal mechanisms, energies are 0.840 eV 1.502 respectively. has stronger interaction surface-active site than N2O. will occupy active hinder cannot improve catalysis because step. Compared homogeneous by CO, limited catalytic effect N2O, where decreases from 1.691 eV.