Self-assembly is the mechanism that controls the formation of well-defined structures from disordered pre-existing parts. Despite the importance of self-assembly as a manufacturing method and the increasingly large number of experimental realizations of complex self-assembled nano-aggregates, theoretical predictions are lagging behind. Here, we show that for a nontrivial self-assembly phenomenon, originating branched loopless clusters, it is possible to derive a fully predictive parameter-free theory of equilibrium self-assembly by combining the Wertheim theory for associating liquids with the Flory-Stockmayer approach for chemical gelation.

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http://dx.doi.org/10.1021/jp074281+DOI Listing

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