Randomly branching polymers with annealed connectivity are model systems for ring polymers and chromosomes. In this context, the branched structure represents transient folding induced by topological constraints. Here we present computer simulations of melts of annealed randomly branching polymers of 3 ≤ N ≤ 1800 segments in d = 2 and d = 3 dimensions. In all cases, we perform a detailed analysis of the observed tree connectivities and spatial conformations. Our results are in excellent agreement with an asymptotic scaling of the average tree size of R ∼ N1/d, suggesting that the trees behave as compact, territorial fractals. The observed swelling relative to the size of ideal trees, R ∼ N1/4, demonstrates that excluded volume interactions are only partially screened in melts of annealed trees. Overall, our results are in good qualitative agreement with the predictions of Flory theory. In particular, we find that the trees swell by the combination of modified branching and path stretching. However, the former effect is subdominant and difficult to detect in d = 3 dimensions. © 2016 Author(s).
|Titolo:||Computer simulations of melts of randomly branching polymers|
|Autori:||Rosa A.; Everaers R.|
|Rivista:||THE JOURNAL OF CHEMICAL PHYSICS|
|Data di pubblicazione:||2016|
|Digital Object Identifier (DOI):||10.1063/1.4965827|
|Appare nelle tipologie:||1.1 Journal article|