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Título

Predicting experimental results for polyethylene by computer simulation

AutorJavier Ramos; Juan Francisco Vega; Javier Martinez-Salazar
Palabras clavePolyethylene
Molecular architecture
Branching
Dynamics
Crystallization
Computer simulations
Fecha de publicación27-dic-2017
CitaciónEuropean Polymer Journal
ResumenThis feature article reviews several aspects of computational approaches to polyethylene melt and solid state properties in relation to existing experimental results. Based on 40 years of experience in the field, we offer a personal view of how computer simulations are helping to understand the physics of polyethylene as a model polymer. The first issue discussed is the molten state of polyethylene, including static and dynamic properties and entanglement features along with their impacts on rheological behaviour. We then examine the glass transition, crystallization process and solid state structure, including the interlamellar region. This is followed by brief descriptions of the latest advances in simulating mechanical properties and of the various methodologies used to simulate the physics of polyethylene. Throughout the manuscript, references are made to our own work and also to studies by many other authors that have nicely contributed to developments in simulating the physics of polyethylene in close agreement with experimental results.
Versión del editorhttps://doi.org/10.1016/j.eurpolymj.2017.12.027
URIhttp://hdl.handle.net/10261/162887
ISSN0014-3057
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