| Literature DB >> 24735313 |
Teun Vissers1, Frank Smallenburg1, Gianmarco Munaò1, Zdeněk Preisler1, Francesco Sciortino1.
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.Year: 2014 PMID: 24735313 DOI: 10.1063/1.4869834
Source DB: PubMed Journal: J Chem Phys ISSN: 0021-9606 Impact factor: 3.488