MULTISCALE SIMULATION FOR ULTRATHIN POLYSULFONE MEMBRANE

Deviation of ultrathin films from bulk membrane, which is known as thickness dependent confinement, has been acknowledged but not been fully elucidated. Molecular simulation can be used to develop empirical equations that describe intrinsic material properties of ultrathin polymer films (e.g. physical properties of polymer and gas transport properties in the polymer). Conventional molecular modeling often neglects surface boundary that causes confinement, which makes it not applicable to ultrathin film. A multiscale computational work from molecular to process modeling is also required.