The name is absent



potential with a temperature dependent segment diameter, dl, given by

/ ^repulsion

dr = σi 1 — 0.12 exp

(2.5)


1 - exp I —-———
p kT

Thus, the excess contribution to the free energy due to repulsive interactions is given

by [82, 83]

Ahs
NsKT


ɪ Γ ɜɑɑ
Co . 1 - Сз


C3

<3 (I - Сз)2

М1-Сз)


(2.6)


where Ns is the total number of spheres (or segments of the chains) in the system, Ns

= N∑iχimi, and

c =                nE {°>1>2>3}∙                (2.7)

i

p ( = N∕V) is the total density of the chains formed by bonding these segments.

Figure 2.2: Schematic of chain formation from associating spherical molecules.


All previously published versions of SAFT include the term accounting for chain
connectivity (Acfcam) derived by Chapman et al. [46] on the basis of Wertheim’s theory
for associating atomic fluids. To form chains of type ‘i’, the starting point is a

39



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