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Grozdana Bogdanić INA-Industrija nafte, d.d., Technology Development and Project Management

Additive Group Contribution Methods for Predicting Properties of Polymer Systems. Grozdana Bogdanić INA-Industrija nafte, d.d., Technology Development and Project Management Department, Zagreb , Croatia. V LE 1. 1. Group contribution methods for predicting the properties of

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Grozdana Bogdanić INA-Industrija nafte, d.d., Technology Development and Project Management

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  1. Additive Group Contribution Methods for Predicting Properties of Polymer Systems Grozdana Bogdanić INA-Industrija nafte, d.d., Technology Development and Project Management Department, Zagreb, Croatia

  2. VLE • 1.1. Group contribution methods for predicting the properties of • polymer–solvent mixtures • Activity coefficient models • Equations of state • 2. LLE • 2.1. Group contribution methods for predicting the properties of • polymer–solvent mixtures • Activity coefficient models • Equations of state • 2. 2. Group contribution methods for predicting the properties of • polymer–polymer mixtures (polymer blends) • 3. Conclusions

  3. Group Contribution Methods for Predicting Properties of Polymer – Solvent Mixtures (VLE)

  4. The UNIFAC-FV model T.Oishi, J.M.Prausnitz, 1978. combinatorialresidualfree-volume

  5. The Entropic-FV model H.S.Elbro, Aa.Fredenslund, P.Rasmussen, 1990. G.M.Kontogeorgis, Aa.Fredenslund, D.P.Tassios, 1993. The free-volume definition:

  6. The GC-Flory EOS F.Chen, Aa.Fredenslund, P.Rasmussen, 1990. G.Bogdanić, Aa.Fredenslund, 1994. combinatorialFVattractive N. Muro-Suñé, R. Gani, G. Bell, I. Shirley, 2005.

  7. The GC-lattice-fluid EOS M.S.High, R.P.Danner, 1989; 1990. B.C. Lee, R.P. Danner, 1996.

  8. G. Bogdanić, Aa. Fredenslund, 1995. UNIFAC-FV Entropic-FV GC-Flory GC-LF (1990) Prediction of infinite dilution activity coefficients versus experimental values for polymer solutions (more than 120 systems)

  9. B.C. Lee, R.P. Danner, 1997. Prediction of infinite dilution activity coefficients versus experimental values for systems containing nonpolar solvents (215-246 systems)

  10. B.C. Lee, R.P. Danner, 1997. Predictions of infinite dilution activity coefficients versus experimental values for systems containing weakly polar solvents (cca 60 systems)

  11. B.C. Lee, R.P. Danner, 1997. Predictions of infinite dilution activity coefficients versus experimental values for systems containing strongly polar solvents (cca 30 systems)

  12. G. Bogdanić, Aa. Fredenslund, 1995. T = 383 K T = 373 K T = 322 K Activity of 2-methyl heptane in PVC (Mn = 30000; Mn = 105000) Activity of ethyl benzene in PBD (Mn = 250000) Activity of MEK in PS (Mn = 103000)

  13. LLE Polymer solutions Polymer blends

  14. The segmental interaction UNIQUAC-FV model(s) G.Bogdanić, J.Vidal, 2000. G.D. Pappa, E.C. Voutsas, D.P. Tassios, 2001.

  15. J. Vidal, G. Bogdanić, 1998. Correlation () of LLE PEG/water system by the UNIQUAC–FV model

  16. G. Bogdanić, J. Vidal,2000. Mv=65000 g/mol,correlation Mv=135000 g/mol, prediction Mw=44500 g/mol,- - - - prediction poly(S0.54-co-BMA0.46), Mw=40000 g/mol,correlation poly(S0.80-co-BMA0.20), Mw=250000 g/mol, - - - - prediction Correlation and prediction of LLE for PBD/1-octane by the UNIQUAC-FVmodel Correlation and prediction of LLE for poly(S-co-BMA)/MEK by the UNIQUAC-FV model

  17. The GC-Flory EOS G.Bogdanić, Aa.Fredenslund, 1994. G.Bogdanić, 2002. LLE parameters

  18. G.Bogdanić, 2002. Coexistence curves for HDPE/n-hexane systems as correlated bythe GC-Flory EOS () Coexistence curves for PIB/n-hexane systems as correlated by the GC-Flory EOS ()

  19. The mean-field theory R.P. Kambour, J.T. Bendler, R.C. Bopp, 1983. G.ten Brinke, F.E.Karasz, W.J.MacKnight, 1983. combinatorial residual

  20. G. Bogdanić, R. Vuković, et. al., 1997. Miscibility of poly(S-co-oClS)/SPPOMiscibility of poly(S-co-pClS)/SPPO () one phase; () two phases;() predicted miscibility/immiscibility boundaryby the mean-field model

  21. G. Bogdanić, 2006. Miscibility behaviorPPO/poly(oFS-co-pClS)Miscibility of SPPO/poly(oBrS-co-pBrS) system system (------) correlated by the UNIQUAC-FV model()correlated by the UNIQUAC-FV model

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