The name is absent



ea0∕kT = 1.


(b)


012345678

z∕σ

Figure 4.3: Comparison of the density profiles of head segments (gray) and tail segments
(black) from modified iSAFT (curves) and molecular simulation (symbols: head segments
(■) and tail segments (∙)) for:
(a) repulsive chains near a repulsive wall at a bulk density
of ∕⅞σ3 = 0.711, and
(b) attractive chains near an attractive wall with a bulk density of
∕⅛σ3 = 0.695. The simulation results are from Frischknecht and Frink [118].


012345678

z∕σ


For comparison, the attractions in modified iSAFT are treated as a perturbation to
hard sphere repulsion in the spirit of Weeks-Chandler-Anderson (WCA) perturbation
theory [120, 121].

where


ua0(r) =    {τ) + u^(r),


(4.41)


if r < σa0

if r ≥ σa0


(4.42)


99




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