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note
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In comparisons with Boublik and Nezbeda's chemical potential predictions, we have followed Refs. 31 and 33 in approximating the mean curvature of each particle by that of the spherocylinders (either prolate or oblate) which contain the polyatomic particles of interest. The mean curvature is calculated using expressions in Table I of Ref. 33, while the volume and surface area are calculated for the actual polyatomic solutes. The MSPT model predictions deviate by as much as 0.6 μ/kT units (or 7%) from our simulation results, while ISPT predictions deviate by as much as 1 in μ/kT units (or 13%). These deviations are perhaps not surprising since Boublik's asymmetry parameters for these particles, 1.3 ≤ α ≤ 3.5, are all larger than the stated range of applicability of Boublik and Nezbeda's expressions (α ≤ 1.2) (Ref. 33).
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