The name is absent



directional attraction sites as shown in figure 3.1. From TPTl, the free energy func-
tional for such a system of associating hard spheres can be written as a perturbation
to the reference hard sphere fluid.

A[p(r)] = A⅜(r)] + Λ≡λs∏γ)] + A≡^'soc[p(r)]          (3.7)

where A2d[p(r)] is the ideal gas free energy, A'εx,7ω[p(r)] is the contribution to the
free energy due to the reference fluid of hard spheres and is approximated using
the weighted density functional developed by Tarazona [107]. j4f'x,'ωsoc[p(r)] is the
contribution to the free energy due to association and can be written from Chapman
et. al. [58].

= ∑ / drp(t) I 1пХд(г)
Λ∈Γ∙'          ×




(3.8)


where -Хд(г) is the fraction of atoms not bonded at site A and the sum is over all the

sites.                                                                                                          '

X√r1) l + ^BerKghs(a-,Pbulk)fABfdr2p(r)XB(r2)'        (3'9)

where K is a geometric constant which depends upon the bonding volume, g>ιs is
the hard sphere correlation function, and
fAB is the association Mayer /-function
(averaged over all configurations of sites A and B),

∕ab —


(1 - cos0c)2
4



(3.10)


69




More intriguing information

1. Climate Policy under Sustainable Discounted Utilitarianism
2. Integration, Regional Specialization and Growth Differentials in EU Acceding Countries: Evidence from Hungary
3. Draft of paper published in:
4. The name is absent
5. The name is absent
6. What Drives the Productive Efficiency of a Firm?: The Importance of Industry, Location, R&D, and Size
7. Knowledge and Learning in Complex Urban Renewal Projects; Towards a Process Design
8. Valuing Access to our Public Lands: A Unique Public Good Pricing Experiment
9. Testing Panel Data Regression Models with Spatial Error Correlation
10. Herman Melville and the Problem of Evil