The contribution of the solvation shell to the total solvent-solvent term I v (q) will be completely overshadowed by the bulk solvent signal. Thus we first calculate the difference-scattering signal from a solute-expansion by subtracting the solvent-scattering of the 'neat' LJ liquid from that of the system with the biggest solute: ∆I v (q) = I 6.7 v (q) -I 3.4 v (q), where both simulations were performed with identical box sizes. The black curve in fig. shows this calculated signal. The signal has two distinct features, a q < 1 Å-1 peak and a 1 Å-1 < q < 3 Å-1 oscillation, which we call the 'low-q' and 'high-q' feature, respectively. As mentioned in the introduction to this section, there are two events that affect I v (q): (I) The increase in the excluded volume inaccessible to the solvent due to the increase in solute size, and (II) the increase in average density of the bulk solvent as the effectively accessible volume to the solvent decreases as the excluded volume of the solute increases. The latter can be isolated by simply running a simulation of 'neat' σ ij = 3.4 Å-particles in a smaller box, where we have reduced the volume with the same amount as the total accessible volume has decreased for σ = 3.4 ∆Iv (q), solute expansion ∆Iρ(q), global density increase ∆IEV, solute expansion Figure : Difference-scattering curves of the individual contributions to the solvent-solvent term (black curve), calculated from the difference of the scattering of the LJ RDFs containing the σ ij = 6.7 Å solute, and the 'neat' LJ liquid, where all particles have a σ ij of 3.4 Å. The blue curve shows the global density difference from calculating ∆I(q) from reducing the NVT box volume with the same amount as we estimate the excluded volume increases in the σ = 6.7 Å case. The orange curve shows the excluded volume term calculated via eq. 17.