(563a) Examine the Diffusive Behavior of Different Combinations of Ethanol and Water within An Amorphous Mixture of PDMS and High Silica ZSM-5 Zeolite by Molecular Simulation

An amorphous mixture of PDMS and multi-cellular fragments of ZSM-5 are brought together to approximate the properties of a mixed matrix membrane of PDMS with ZSM-5. The diffusive behavior of different ethanol and water combinations within this amorphous mixture are simulated by NVT-ensemble equilibrium molecular dynamics techniques. The effect of concentration on the diffusive behavior of the components is investigated through the analysis of both mean square displacements and radial distribution functions. Agreement with experimental work suggests the similar simulation of many different amorphous mixtures by computer to help identify other promising mixed matrix membranes which may be used to facilitate the separation of ethanol from water.