Structural and dynamical properties of a core-softened fluid in a supercritical region.
We present a theoretical study of the structural, thermodynamic, and transport properties of a supercritical fluid comprising particles interacting via isotropic attractive core-softened potential. The shear viscosity and self-diffusion coefficient are computed on the basis of the mode-coupling theory, with required structural input obtained from the thermodynamically self-consistent integral equation theory. We also consider dilute solutes in a core-softened fluid and use the anisotropic integral equation theory to obtain the solute-solute potential of mean force, which yields the second virial coefficient. We analyze its dependence on the solvent density and solute-solvent interaction strength.
Egorov
S A
SA
Department of Chemistry, University of Virginia, Charlottesville, Virginia 22901, USA. sae6z@virginia.edu