Detail publikačního výsledku
Molecular modelling of polybutadienes miscibility
PEKAŘ, M., ROUPEC, M.
Originální název
Molecular modelling of polybutadienes miscibility
Anglický název
Molecular modelling of polybutadienes miscibility
Druh
Stať ve sborníku v databázi WoS či Scopus
Originální abstrakt
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.
Anglický abstrakt
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.
Klíčová slova
miscibility, molecular modelling, physical chemistry, polybutadiene
Klíčová slova v angličtině
miscibility, molecular modelling, physical chemistry, polybutadiene
Autoři
PEKAŘ, M., ROUPEC, M.
Vydáno
01.01.2002
Nakladatel
Asociace českých chemických společností
Kniha
Chemické listy, Symposia
ISSN
0009-2770
Periodikum
CHEMICKE LISTY
Svazek
96
Číslo
S
Stát
Česká republika
Strany od
S51
Strany počet
1
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