Cooperative polymerization of one-patch colloids.
J Chem Phys
; 140(14): 144902, 2014 Apr 14.
Article
em En
| MEDLINE
| ID: mdl-24735313
ABSTRACT
We numerically investigate cooperative polymerization in an off-lattice model based on a pairwise additive potential using particles with a single attractive patch that covers 30% of the colloid surface. Upon cooling, these particles self-assemble into small clusters which, below a density-dependent temperature, spontaneously reorganize into long straight tubes. We evaluate the partition functions of clusters of all sizes to provide an accurate description of the chemical reaction constants governing this process. Our calculations show that, for intermediate sizes, the partition functions retain contributions from two different structures, differing in both energy and entropy. We illustrate the microscopic mechanism behind the complex polymerization process in this system and provide a detailed evaluation of its thermodynamics.
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Coleções:
01-internacional
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MEDLINE
Idioma:
En
Ano de publicação:
2014
Tipo de documento:
Article