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Abstract The thermodynamics and structural changes involved in the transfer of the Er3+ ion across the water/dodecane interface are investigated by molecular dynamics simulations. We show that the Er3+ ion… Click to show full abstract
Abstract The thermodynamics and structural changes involved in the transfer of the Er3+ ion across the water/dodecane interface are investigated by molecular dynamics simulations. We show that the Er3+ ion is transferred as a highly conserved 8-water coordinated species and that the transfer involves significant perturbation of the interfacial water structure. Several structural properties are used to quantify this process. Implications for the ion extraction process are discussed.
Keywords:
across water;
ion across;
thermodynamics;
water dodecane;
ion
Journal Title: Chemical Physics Letters
Year Published: 2019
Link to full text (if available)
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Journal Title: Chemical Physics Letters
Year Published: 2019
Link to full text (if available)
Share on Social Media: Sign Up to like & get
recommendations!