Mobility of small molecules in membrane materials based on copolyimide P84

Abstract

Dynamics of small molecules in copolyimide P84, which is an important membrane material for separation and purification technologies, have been analyzed using quantum chemistry and molecular dynamics methods. The most significant factors determining the membrane properties and the molecular motion of gases and liquids in the P84 membranes are both the size and dipole moment of these molecules as well as the charge state of sorption centers in the polymer.