Abstract
MD simulations of aqueous solution containing two salts, NaCl and (CH 3) 4NCl, were performed at 298 K. Radial distribution functions for ion-oxygen and ion-hydrogen have shown that the presence of TMA + does not affect Na +–water and Cl −–water separations, but it affects a number of the nearest neighbors of both ions. Angular distribution functions have indicated that the orientations of the neighbors of Na + and Cl − are more random. Residence time of the molecules in the Na + and Cl − shells is significantly shorter than in solutions of one salt.
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