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Solvation Effects in Aqueous/Methanolic
Solutions
A most interesting result of a recently completed study of aqueous and
methanolic solutions was the observation of solute/solvent clustering in
solutions undergoing reverse osmosis. Previously, many believed that there was
some sort of surface interactions between the membrane and the solutes that
would prevent the solutes from permeating the membrane. In our study, the
membrane was composed of simple Lennard-Jones particles with no additional
coulombic forces. The figures given below are from the results of this study.
For further information, one should consult our article "Molecular
simulation of osmosis, reverse osmosis, and electro-osmosis in aqueous and
methanolic electrolyte solutions" (Molecular Physics, 1998, Vol. 95, No. 3,
401-408).

This schematic diagram shows the relative sizes of the solutes and
solvent relative to the size of the pores in the membrane. Note that the sodium
and lithium ions should easily fit through the pore if they are not clustered
with solvent molecules.

This picture shows an ion-solvent cluster. Note how the sodium ion is
completely surrounded by water molecules. The electrostatic forces that bind the
ion to the water molecules is strong enough to prevent the ion from penetrating
the membrane.

This figure shows that the ion-solvent clusters form larger clusters.
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