fraction is given by [58, 62],
*>ι) =
_______________________1_______________________
1 + f dr2X^(r2)^aa'(r1,r2)psaefa(r2)’
(4.9)
where a' denotes the neighboring segment which bonds with segment a; site A on a
bonds to site B on ot,. For hard sphere segments that do not overlap,
∆α*'(r1,r2) = Х^“'(Г1,Г2)У““'(Г1,Г2), (4.10)
where K is a constant geometric factor which accounts for the entropie cost associated
with the orientations of the two segments to form the bond. Faa (rι,r2) is the
association Mayer-/ function given as
Fαa'(r1,r2) = [exp(∕3ε0 - ∕¾d(rι, r2)) - 1],
(4.11)
where ɛo is the bond energy and z∕"0"d(rx, r2) is the bonding potential. In the limit of
ε0 → ∞ we have complete association or chain formation. For tangentially bonded
segments the bonding potential, ^ɑ^(rɪ, r2) is given by
exp[4¾d(rι,r2)] =
<5(∣rι - r2∣ - σaa')
4π(σαc,z)2
(4.12)
and yaa'(r-L, r2) is the cavity correlation function for the inhomogeneous hard sphere
reference fluid.
88
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