Atomistic molecular dynamics (MD) simulations are performed in order to understand the adsorption behavior of UO22+ ions from an aqueous medium. The dibenzo crown ether (DBCE) and dicyclo hexano crown ether (DCHCE) grafted on the polystyrene surface is used as the adsorbent. We investigated the role of grafting density rho(s) (mol/nm(2)) of DBCE and DCHCE on the adsorption behavior with increasing UO22+ ion concentration C-s (M). The amount of adsorption (q(e)) (mg/g) increases with an increase in UO22+ salt concentration and follows the Langmuir adsorption isotherm model. The maximum amount of adsorption (q(max)) (mg/g) increases with increasing grafting density for both DBCE and DCHCE. The DCHCE shows higher q(max) values compared to DBCE over the entire range of rho(s): 0.25 mol/nm(2)