Monte Carlo modelling of the polymer glass transition | Zendy

Paul W. | Zendy; Binder K. | Zendy; Batoulis J. | Zendy; Pittel B. | Zendy; Sommer K. H. | Zendy

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Monte Carlo modelling of the polymer glass transition

Author(s) -

Paul W.,

Binder K.,

Batoulis J.,

Pittel B.,

Sommer K. H.

Publication year - 1993

Publication title -

makromolekulare chemie. macromolecular symposia

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.257

H-Index - 76

eISSN - 1521-3900

pISSN - 0258-0322

DOI - 10.1002/masy.19930650103

Subject(s) - monte carlo method , glass transition , statistical physics , amorphous solid , superposition principle , polymer , polycarbonate , lattice (music) , materials science , relaxation (psychology) , monte carlo molecular modeling , thermodynamics , physics , chemistry , crystallography , composite material , mathematics , markov chain monte carlo , statistics , psychology , social psychology , quantum mechanics , acoustics

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.

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