The name is absent



correlation function for an inhomogenous hard sphere reference fluid, and Faa (rɪ, r2)

is the association Mayer-/ function given as

Fαα'(rι,r2) = [exp(∕3ε0 - /M>nd(rι, r2)) - 1],

(3.26)


where ε0 is the association strength and u^d ɪɛ t^ιe bonding potential. In the limit
of complete association, ʌ^(rɪ) → 0 and ε → ∞, leading to following simplifications,

a Kexp(0εo) f dr2Xg'(r2)psae,9(r2)yaa'(r1,r2)exp(-β^d(r1,r2))'    '

Two approximations were made to obtain simple analytical expressions for X%,

• Each site reaches its vanishing limit at the same rate, i.e. X∩ (r2) ≈ ^(∏)∙
Thereby,

A'exp(∕3ε0)∕dr2p^(r2)yαα'(r1,r2)cxp(-∕3z√6χ'd(r1,r2))'  ^ɜ'2^

• The inhomogeneous cavity correlation function, yaa (rɪ, r2) is approximated by
its bulk value (at contact) at a weighted density.

Using these approximations the final expression for ^εx=assoc js given as

/Mβx~∏ = / ⅛ι^p^(r1)^f-∣ln^'>,fc(σ^',[p^(rι)])

∙'      q=1           a `

76



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