Classical molecular dynamics simulations have been employed to study the exchange of Na+ for Hg2+ in zeolite Na-A, with a Si/Al ratio of 1, and zeolite Na-Y, with Si/Al ratios of 2 and 5, in dry and hydrated conditions within the temperature range 330 – 360 K, to understand factors underpinning the performance of zeolites for water decontamination. |