MONTE-CARLO MODELING OF THE POLYMER GLASS-TRANSITION

被引：4

作者：

PAUL, W ^{[1
]}

BINDER, K ^{[1
]}

BATOULIS, J ^{[1
]}

PITTEL, B ^{[1
]}

SOMMER, KH ^{[1
]}

机构：

[1] BAYER AG, W-5090 LEVERKUSEN, GERMANY

来源：

MAKROMOLEKULARE CHEMIE-MACROMOLECULAR SYMPOSIA | 1993年 / 65卷

关键词：

D O I：

10.1002/masy.19930650103

中图分类号：

O63 [高分子化学（高聚物）];

学科分类号：

070305 ; 080501 ; 081704 ;

摘要：

We are proposing a lattice model with chemical input for the computer modelling 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.

引用

页码：3 / 10

页数：8

共 15 条

[1] ON THE CONSTRUCTION OF COARSE-GRAINED MODELS FOR LINEAR FLEXIBLE POLYMER-CHAINS - DISTRIBUTION-FUNCTIONS FOR GROUPS OF CONSECUTIVE MONOMERS [J].