The condensation behaviours of carbon dioxide on MgO surface

Abstract

Various separation methods for carbon dioxide gas have been proposed to control its release to the atmosphere, including the separation using an inorganic membranes such as ceramic MgO. In this work, molecular dynamics simulations are performed to clarify the condensation behaviour of carbon dioxide, in its pure and mixture state, onto the surface of MgO at a high operational temperature. The results show that no condensation of pure carbon dioxide is observed on MgO surface. However, the presence of methane impurity can promote the condensation of carbon dioxide on MgO surface as a single layer with an ordered configuration.