Computational analysis of the applicability of siliceous zeolites as reverse osmosis membranes

This data set contains the data generated from molecular dynamics simulations of hydrated purely-siliceous zeolites (silicalite, MTF, SFF, VET, GON) performed to investigate the suitability of such materials as reverse osmosis membranes. Both behaviour of water and sodium and chloride ions within the zeolites was investigated. The The simulations were performed using the iVEC facilities.