Events in physical chemistry.

Solvation, Structure, and Simulations of Systems with Strong Coulomb Interactions: The Long and Short of It

We discuss new and ongoing work using Local Molecular Field (LMF) theory that provides a
general unified description of mixtures of charged and polar fluids as well as apolar Lennard-
Jones type (LJ) mixtures. Our initial focus is on the special case of a dilute aqueous solution of
AB solutes where the solutes may be charged or hydrophobic and the solvent W is described by
the classical SPC/E water model. There can be very interesting behavior of the AB pair
correlation function from solvent-induced effective interactions that presents difficult problems


Subscribe to RSS - Physical Seminar