6533b851fe1ef96bd12a9753
RESEARCH PRODUCT
Monte Carlo modelling of the polymer glass transition
B. PittelJ. BatoulisK. H. SommerKurt BinderWolfgang Paulsubject
Materials sciencePolymers and PlasticsOrganic ChemistryMonte Carlo methodCondensed Matter PhysicsCondensed Matter::Disordered Systems and Neural NetworksAmorphous solidTime–temperature superpositionMaterials ChemistryDynamic Monte Carlo methodRelaxation (physics)GranularityStatistical physicsGlass transitionLattice model (physics)description
We are proposing a lattice model with chemical input for the computer modelling of the polymer glass transition. The chemical input information is obtained by a coarse graining procedure applied to a microscopic model with full chemical detail. We use this information on Bisphenol-A-Polycarbonate to predict it's Vogel-Fulcher temperature out of a dynamic Monte Carlo Simulation. The microscopic structure of the lattice model is that of a genuine amorphous material, and the structural relaxation obeys the time temperature superposition.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 1993-01-01 | Makromolekulare Chemie. Macromolecular Symposia |