(Color) Radial distribution functions (upper part) and the IR and Raman spectra (lower part) calculated for state with (operating between molecules of species 1) at the mole fraction , taken as an example. In the upper part, , , and [where is the function for the distances between the molecules of species and species ] are shown in pink, purple, and light blue, respectively. The function in the case of no preferential solvation is shown with a black broken line as a reference. In the Raman spectra (bottom), the isotropic and anisotropic components are shown in blue and green, respectively.
(Color) Concentration dependencies of the relative magnitudes of NCE of the vibrational bands of species 1 and 2 (color lines) and the local mole fractions and (black broken lines) calculated for state [left, (a)–(d)] and state [right, (e)–(h)] with the values of VESA specified in each part. For state , the curves for (red) do not overlap with those of (light blue), so that they are drawn separately. The black dotted lines indicate linear dependencies and are drawn as a reference.
Schematic drawings of the nonlinear concentration dependencies of the relative magnitudes of NCE arising from microscopic inhomogeneity (left) and polarity difference (right). The former is taken from Fig. 2(a). The latter is drawn on the basis of Logan’s theory [Eq. 17 of Ref. 28], assuming that the magnitude square of the dipole moment of species 1 is (as an example) twice as large as that of species 2.
Values of the parameters of vibrational modes assumed in the present calculation.
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