Improved simulation method for the calculation of the intrinsic viscosity of some dendrimer molecules

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dc.creatorRodriguez, Esteban
dc.creatorFreire, Juan J.
dc.creatorEchenique, G. del Rio
dc.creatorCifre, J. G. Hernandez
dc.creatorde la Torre, J. Garcia
dc.date2006-11-03
dc.date.accessioned2026-07-07T07:31:12Z
dc.date.available2026-07-07T07:31:12Z
dc.descriptionA method previously proposed for calculating the radius of gyration and the intrinsic viscosity of dendrimers is modified to give a more accurate description of existing experimental data. The new method includes some features that were not previously considered, namely: a) a correction term to take into account the contribution of individual friction beads, whose volumes are not negligible in comparison with the molecule size, b) a realistic distribution of internal angles between successive beads that define branching points in the molecule, c) a distribution of distances between branching points computed from Molecular Dynamics simulations of a small dendrimer with explicit solvent. Modification a) alone is able to give a good description of the experimental results obtained for polypropylene-imide with a diaminobutane core in water, while the simultaneous use of the three modifications is needed to adequately describe the experimental data of monodendrons and tridendrons of polybenzylether in THF.
dc.identifierhttps://arxiv.org/abs/cond-mat/0611090
dc.identifierhttp://arxiv.org/abs/cond-mat/0611090
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/118666
dc.subjectMaterials Science
dc.subjectSoft Condensed Matter
dc.titleImproved simulation method for the calculation of the intrinsic viscosity of some dendrimer molecules
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