Molecular modelling of polybutadienes miscibility

conference paper

English

Contribution reviews main results and, particularly, main problems encountered in molecular modelling of poylbutadienes miscibility. At this stage, it should be stated, that no methodology can be used as a priori miscibility predictor. Results of computations are usually very sensitive to the structure of selected molecular model and underlying parameters and must be compared with corresponding experiments to find best model and parameter set for particular mixture. Thus the methods employed can currently be used only for interpretation of experimental results.

miscibility, molecular modelling, physical chemistry, polybutadiene

PEKAŘ, M., ROUPEC, M.

2002

1. 1. 2002

Asociace českých chemických společností

0009-2770

Chemické listy

96

S

Czech Republic

S51

1