Helix formation in linear achiral dendronized polymers. A computer simulation study

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dc.creatorChristopoulos, D. K.
dc.creatorTerzis, A. F.
dc.creatorVanakaras, A. G.
dc.creatorPhotinos, D. J.
dc.date2006-09-19
dc.date.accessioned2026-07-07T13:09:05Z
dc.date.available2026-07-07T13:09:05Z
dc.descriptionWe present a molecular simulation study of the structure of linear dendronized polymers. We use excluded volume interactions in the context of a generic coarse-grained molecular model whose geometrical parameters are tuned to represent a poly(para-phenylene) backbone with benzyl ether, Frechet type dendrons. We apply Monte Carlo sampling in order to investigate the formation of packing-induced chiral structures along the polymer backbone of these chemically non-chiral systems. We find that helical structures can be formed, usually with defects consisting of domains with reversed helical handedness. Clear signs of helical arrangements of the dendrons begin to appear for dendritic generation g=4, while for g=5 these arrangements dominate and perfect helices can even be observed as equilibrium structures obtained from certain types of starting configurations.
dc.description24 pages, 10 figures
dc.identifierhttps://arxiv.org/abs/cond-mat/0609459
dc.identifierhttp://arxiv.org/abs/cond-mat/0609459
dc.identifierJ. Chem. Phys. 125, 204907 (2006)
dc.identifierdoi:10.1063/1.2378630
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/228622
dc.subjectSoft Condensed Matter
dc.subjectMaterials Science
dc.titleHelix formation in linear achiral dendronized polymers. A computer simulation study
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