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Simulation moléculaire de fondus de polymères et d'élastomères par la méthode de la "Dynamique des Particules Dissipatives"

Abstract : This work is about the molecular simulation of polymeric systems, at a mesoscopic level, using the Dissipative Particle Dynamics method. This thesis aims at better understanding the links between the structure of the studied materials and their dynamical, rheological and mechanical properties. First we focused on the development of potentials adapted to the mesoscopic modelling of polymer melts from a microscopic characterization. Subsequently we achieved a detailed analysis of the dynamics of entangled and unentangled polymer melts, combined with topological analyses for increasing chain lengths. Our conclusions highlight the link between the transitions in the scaling laws related to viscosity, diffusion and relaxation times and static quantities, like the entanglement mass. Finally we looked into the mechanical properties of elastomers. We show that not only the cross-linking degree but also the cross-link sizes as well as the network topology has an impact on the shear moduli of these systems.
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https://tel.archives-ouvertes.fr/tel-00408096
Contributor : Flavien Lahmar Connect in order to contact the contributor
Submitted on : Tuesday, July 28, 2009 - 5:40:22 PM
Last modification on : Sunday, June 26, 2022 - 11:50:12 AM
Long-term archiving on: : Monday, October 15, 2012 - 3:40:38 PM

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  • HAL Id : tel-00408096, version 1

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Lahmar Flavien. Simulation moléculaire de fondus de polymères et d'élastomères par la méthode de la "Dynamique des Particules Dissipatives". Autre. Université Paris Sud - Paris XI, 2008. Français. ⟨tel-00408096⟩

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