First-principle calculations of sulfur dioxide adsorption on the Ca-montmorillonite.

According to the serious problem of sulfur dioxide pollution, montmorillonite is one of the effective ways in gas pollution control because of its excellent absorption properties. One of the fundamental questions is to fully understand sulfur dioxide absorption mechanism of montmorillonite. In this study, using the first-principle methods, we studied the adsorption characteristics of Ca-montmorillonite in the presence of [Formula: see text].