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  • 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 currenntly be used only for interpretation of experimental results.
  • 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 currenntly be used only for interpretation of experimental results. (en)
Title
  • Molecular modelling of polybutadienes miscibility
  • Molecular modelling of polybutadienes miscibility (en)
skos:prefLabel
  • Molecular modelling of polybutadienes miscibility
  • Molecular modelling of polybutadienes miscibility (en)
skos:notation
  • RIV/00216305:26310/02:PU29412!RIV/2003/MSM/263103/N
http://linked.open.../vavai/riv/strany
  • S51
http://linked.open...avai/riv/aktivita
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  • Z(MSM 263100019)
http://linked.open...vai/riv/dodaniDat
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  • 654113
http://linked.open...ai/riv/idVysledku
  • RIV/00216305:26310/02:PU29412
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  • miscibility, molecular modelling, physical chemistry, polybutadiene (en)
http://linked.open.../riv/klicoveSlovo
http://linked.open...ontrolniKodProRIV
  • [8EE580E59BA8]
http://linked.open...v/mistoKonaniAkce
  • Brno, Czech Republic, Faculty of Chemistry, Brno
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  • Neuveden
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  • Chemické listy, Symposia
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  • Pekař, Miloslav
  • Roupec, Milan
http://linked.open...vavai/riv/typAkce
http://linked.open.../riv/zahajeniAkce
http://linked.open...n/vavai/riv/zamer
number of pages
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  • Asociace českých chemických společností
http://localhost/t...ganizacniJednotka
  • 26310
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