| Self- and Collective Dynamics of Syndiotactic Poly(methylmethacrylate). A Combined Study by Quasielastic Neutron Scattering and Atomistic Molecular Dynamics Simulations (2006) | |||||||||||
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| Macromolecules Self and Collective Dynamics Syndiotactic Poly methyl methacrylate Combined Study Quasielastic Neutron Scattering and Atomistic Molecular Dynamics Simulations Genix Arbe Alvarez Colmenero Farago Wischnewski and Richter Donostia International Physics Center Paseo Manuel Lardizabal San Sebastian Spain Unidad sica Materiales CSIC UPV EHU Apartado San Sebastian Spain Departamento sica Materiales UPV EHU Apartado San Sebastian Spain Institut Laue LangeVin Grenoble Cedex France and Institut fur Festkorperforschung Forschungszentrum Julich GmbH Julich Germany ReceiVed April ReVised Manuscript ReceiVed July ABSTRACT have investigated the molecular dynamics syndiotactic poly methyl methacrylate well above the glass transition combining quasielastic neutron scattering and fully atomistic computer simulations The incoherent scattering measured backscattering sample with deuterated ester methyl groups has revealed the single particle motions hydrogens the main chain and the methyl groups Moreover with neutron spin echo experiments the fully deuterated sample have accessed the collective motions the two first maxima the structure factor The simulated cell which has been previously validated regarding the structural properties Genix al Macromolecules shows dynamical behavior that allowing shift temperature reproduces very accurately all the experimental results The combined analysis both sets data has shown that The segmental relaxation involving backbone atoms deviates from | |||||||||||
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