Singly bondable association sites

Singly bondable association sites— Assumes each association site saturates after sharing in a single association bond. This approximation is not valid for patchy colloids with large patch sizes [43]. 

Equation (53) completes the theory for molecules/colloids with a single doubly bondable association site. To obtain the free energy, Eq. (49) is first evaluated for which allows the free energy to be calculated through Eq. (53). 

Andersen assumes that the intermolecular potential was such that the association site was singly bondable. This single bonding condition was exploited in the... 

One of the main assumptions in the development of Wertheim s first-order thermodynamic perturbation theory (TPTl) is that association sites are singly bondable. Indeed, the entire multi-density formalism of Wertheim is constructed to enforce this condition. For the case of hydrogen bonding, the assumption of singly bondable sites is justified however for patchy colloids (see Section I for a background on patchy colloids), it has been shown experimentally [42, 43] that the number of bonds per patch (association site) is dependent on the patch size. It has been 30 years since Wertheim first published his two-density cluster... 

Figure 5. Associated clusters for patchy colloids with a single double bondable patch (a) dimers, (b) chains with double bonded sites, and (c) triatomic rings of double-bonded sites. (See insert for color...

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