Simulation of Heterogeneous: Free Radical Polymerization Reactions

  • V. Comincioli
  • A. Faucitano
  • F. Faucitano Martinotti
  • S. Cesca
Conference paper
Part of the Springer Series in Chemical Physics book series (CHEMICAL, volume 18)


This note is concerned with modeling the radical grafting of styrene-acrylonytrile onto ethylene-propylene ethylydennorbornene copolymer (EP-ENB) initiated by benzoyl peroxide in benzene/n-heptane solution. Indications stemming from previous work on similar reactions [19.1,2,3] suggest that the mechanism might be heterophasic and that polymer segregation might be responsable for a particular decreasing trend observed in the grafting efficiency curve. This possibility is analyzed in detail by a more complete model which takes into account both physical effects related to phase separation and also phase volume changes during the reaction.


Graft Copolymer Benzoyl Peroxide Polymer Phase Radical Grafting Heterogeneous Mechanism 
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  1. 19.1
    A. Faucitano, H. Atarot, F. Faucitano Martinotti, V. Comincioli, S. Cesca: Eur. Polym. J. 15, 707 (1979)CrossRefGoogle Scholar
  2. 19.2
    A. Faucitano, H. Atarot, F. Faucitano Martinotti, V. Comincioli, S. Cesca, A. Arrighetti: J. Polym. Sci., 18, 2175 (1980)Google Scholar
  3. 19.3
    A. Faucitano, V. Comincioli, F. Faucitano Martinotti, A. Buttafava, S. Cesca International Symposium on Macromolecules, Florence 1980, vol 2 p. 122Google Scholar
  4. 19.4
    S. Arrighetti, A. Brancaccio, S. Cesca, G.P. Giuliani: Chim. Iind. (Milan) 59, 605 (1977)Google Scholar
  5. 19.5
    When pure aliphatic solvents are used, change of the STY-AN copolymer composition as a function of the reaction time has been observed: S. Cesca, S. Arrighetti, G. Locati, E. Mortani, Polym. Bui., in pressGoogle Scholar
  6. 19.6
    The integration of the system of ODE was carried out using a variable step and order method based on implicit backward differentiation multistep formulas (adaption of Gear’s subroutine). The minimization algorithm used in the derivation of rate constants provides a suitable combination of the Levenberg-Marquardt and steepest descent methods.Google Scholar

Copyright information

© Springer-Verlag Berlin Heidelberg 1981

Authors and Affiliations

  • V. Comincioli
  • A. Faucitano
  • F. Faucitano Martinotti
  • S. Cesca

There are no affiliations available

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