We now extend the analysis by systematically varying the σ-value of a single 'solute' particle in a series of separate MD simulations, to simulate how an increase of the effective particle-size affects the resulting estimated excluded volume, RDF convergence, and corrections. To find the excluded volume for an l-type particle in an m-type solvent, we fitted V lm = 4/3πR 3 lm of the volume-correction in eq. 8 by optimizing R 3 lm to produce an RDF that minimizes the residual between g lm (r > r max ) and 1, where the the parameter r max was chosen such that correlations within the liquid have died out. This will circumvent the limit imposed by the finite bin-size when numerically sampling the RDF, but the fit will be sensitive to the numerical sampling noise, which even for 100 ns trajectories is relatively large compared to the difference between the actual asymptotic limit of the RDF and 1. The first 5 rows of fig. again uses the S(0; R) method to analyse the results, this time labeled S c (0; R), since l ∈ u and m ∈ v. Since the differences between the RDF value and 1 are so small, the sampling noise makes the fit sensitive to the choice of r max , but generally, 7σ proved adequate in fitting volumes that converges S c (0; R). The bottom plot shows a linear increase in the excluded The excluded volume is either approximated with a sphere with radius r equal to the r at which g(r) > 0 (yellow curves), or via the fitting procedure described in the main text (blue curves). Note that we only calculate the cross-term. The actual measured signal would also contain both particle self-scattering and all the other terms apart from the term shown here. Middle: Solute-solvent RDFs used in the plots above. Bottom: Fitted radii of the excluded volume V lm as a function of solute-solvent σ values (blue circles). The blue dashed lines show linear fits to the two regions σ solute < σ solvent and σ solute > σ solvent (with σ solvent = 3.4 Å). The yellow crosses represent the radii used for the yellow curves in the top 5 rows. volume with increasing σ solute , with two distinct slopes depending on whether σ solute > σ solvent or vice versa: When the solute is smaller than the solvent, the extension of the neighbouring solvent molecules play a larger role in how close they can pack around the solute, as their own extensions in space hinder closer packing, showing the m-dependence on V lm .