Bianchi Emanuela, Tartaglia Piero, La Nave Emilia, Sciortino Francesco
Dipartimento di Fisica and INFM-CNR-SMC, Università di Roma La Sapienza, Piazzale A Moro 2, 00185, Roma, Italy.
J Phys Chem B. 2007 Oct 11;111(40):11765-9. doi: 10.1021/jp074281+. Epub 2007 Sep 20.
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.
自组装是一种机制,它控制着从无序的预先存在的部分形成定义明确的结构。尽管自组装作为一种制造方法很重要,并且复杂自组装纳米聚集体的实验实现数量日益增加,但理论预测却滞后了。在这里,我们表明,对于一种源于分支无环簇的非平凡自组装现象,通过将用于缔合液体的韦特海姆理论与用于化学凝胶化的弗洛里 - 斯托克迈耶方法相结合,可以推导出一种完全预测性的无参数平衡自组装理论。