Seminarium "Teoria i Modelowanie Nanostruktur"
sala 1.02, ul. Pasteura 5
2015-10-29 (17:15) 
Alexandra Siklitckaia (IFT UW)
carbon dioxide and methane adsorption on shale minerals: ab initio molecular dynamics study
In my talk I will describe the application of Car-Parrinello molecular dynamics technique to the study of adsorption processes on shale minerals. It turns out that the largest tendency to adsorb carbon dioxide exhibit calcium and magnesium oxides.