Kvantovo-chemical calculations of processes of adsorption of simple gas-phase molecules on polyacrylonitrile pirolizovannogo’s surface

In work adsorptions of gas-phase molecules of hydrogen, oxygen and fluorine on a surface one-and two-layer pirolizovanny polyacrylonitrile are investigated. The analysis of the received results established that for two-layer pirolizovanny polyacrylonitrile the atom of the nitrogen which is a part гексагона of a surface, stimulates process of adsorption of molecules of hydrogen and fluorine, however adsorption of a molecule of oxygen influences negatively.