Non-ideality in Born-free energy of solvation in alcohol-water and dimethylsulfoxide-acetonitrile mixtures: Solvent size ratio and ion size dependence |
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Authors: | Hemant K Kashyap and Ranjit Biswas |
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Institution: | (1) Department of Chemical, Biological and Macromolecular Sciences, and Unit for Nanoscience and Technology, S.N. Bose National Centre for Basic Sciences, JD Block, Sector III, Salt Lake City, Kolkata, 700 098, India |
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Abstract: | Recent extension of mean spherical approximation (MSA) for electrolyte solution has been employed to investigate the non-ideality
in Born-free energy of solvation of a rigid, mono-positive ion in binary dipolar mixtures of associating (ethanol-water) and
non-associating (dimethylsulfoxide-acetonitrile) solvents. In addition to the dipole moments, the solvent size ratio and ion
size have been treated in a consistent manner in this extended MSA theory for the first time. The solvent-solvent size ratio
is found to play an important role in determining the non-ideality in these binary mixtures. Smaller ions such as Li+ and Na+ show stronger non-ideality in such mixtures compared to bigger ions (for example, Cs+ and Bu4N+). The partial solvent polarization densities around smaller ions in tertiary butanol (TBA)-water mixture is found to be very
different from that in other alcohol-water mixtures as well as to that for larger ions in aqueous solutions of TBA. Non-ideality
is weaker in mixtures consisting of solvent species possessing nearly equal diameters and dipole moments and is reflected
in the mole fraction dependent partial solvent polarization densities. |
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Keywords: | Non-ideality Born-energy dipolar-mixtures unequal size MSA |
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