Ion Size Dependences of the Salting-Out Effect: Reversed Order of Sodium and Lithium Ions

نویسندگان

چکیده

A general trend of the salting-out effect on hydrophobic solutes in aqueous solution is that smaller size a dissolved ion, larger reducing solubility hydrophobe. An exception Li+, smallest alkali metal ions, has notably weaker than Na+. To understand reversed order cation series, we performed molecular dynamics simulations solutions salt ions and calculated Setschenow coefficient methane with ionic radius either or an anion varied wide range. It confirmed correlated packing fraction solution, as observed earlier studies, also partial molar volume ion. Analyses correlation function integrals, fractions solvation spheres, orientations water molecules surrounding ion reveal key differences microscopic properties between which give rise to series volumes ultimately coefficients.

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ژورنال

عنوان ژورنال: Journal of Physical Chemistry B

سال: 2021

ISSN: ['1520-6106', '1520-5207']

DOI: https://doi.org/10.1021/acs.jpcb.1c03388