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Preferential ion adsorption in mixed electrolytes plays a crucial role in many practical applications, such as ion sensing and separation and in colloid science. Using allatom molecular dynamics simulations of aqueous NaCl, CaCl 2 , and NaCl−CaCl 2 solutions confined by charged amorphous silica, we show that Na + ions can adsorb preferentially over Ca 2+ ions, depending on the surface structure. We propose that this occurs when the local surface structure sterically hinders the first hydrationdoi:10.1021/acs.jpcc.9b02975.s001 fatcat:w35mheecxnbapibdvf7v6p4uba