Abstract
We study the local solute–solvent structure in dilute supercritical solutions, using as a model system a dilute Yukawa solute in a supercritical Lennard-Jones fluid. Our primary interest is in the effect of the solute–solvent interaction range on the local solvent density around the solute. We employ the integral equation theory for inhomogeneous fluids to calculate the solute–solvent structural properties. The theory is shown to be in excellent agreement with Monte Carlo simulations and to provide a substantial improvement over the integral equation theory formulated for homogeneous fluids. In particular, it is demonstrated that the homogeneous theory greatly overestimates the local density enhancement for long-ranged solute–solvent interactions in the highly compressible supercritical regime.
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