6533b85efe1ef96bd12bfb57
RESEARCH PRODUCT
Monte carlo simulation of the glass transition of polymer melts
Kurt Bindersubject
chemistry.chemical_classificationQuantitative Biology::BiomoleculesMaterials scienceMonte Carlo methodConfiguration entropyThermodynamicsPolymerPotential energyCondensed Matter::Soft Condensed Matterchemistry.chemical_compoundMonomerchemistryGlass transitionSupercoolingBond fluctuation modeldescription
The bond fluctuation model of polymer melts is presented as a reasonable compromise between simulation efficiency and realistic chemical detail. It is shown that inclusion of a potential energy that depends on the length of the effective bonds connecting the effective monomers easily creates a conflict between configurational entropy of dense packing and the energetic tendency of the bonds to stretch. This competition leads to a glass transition of the model, which very well describes many features of real systems.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2007-12-10 |