Effects of ion atmosphere on hydrogen-bond dynamics in aqueous electrolyte solutions |
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Authors: | Chandra |
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Affiliation: | Department of Chemistry, Indian Institute of Technology, Kanpur, India 208016, USA. |
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Abstract: | We have performed a series of molecular dynamics simulations of aqueous NaCl and KCl solutions at different concentrations to investigate the effects of ion atmosphere on the dynamics of water-water hydrogen bonds at room temperature. The average number of hydrogen bonds per water molecule decreases with increase of ion concentration. The dynamics of hydrogen-bond breaking is found to accelerate somewhat and that of hydrogen-bond structural relaxation, which occurs at a longer time scale, is found to slow down with increasing ion concentration for both NaCl and KCl solutions. |
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