Molecular weight distribution design with living polimerisation reactions

Authors

  • Eszter Farkas Budapest University of Technology and Economics, Department of Chemical Information Technology, H-1111 Budapest, Gellért tér 4. , Budapesti Műszaki és Gazdaságtudományi Egyetem, Kémiai Informatika Tanszék, 1111 Budapest, Gellért tér 4.
  • Zsolt Meszéna Budapest University of Technology and Economics, Department of Chemical Information Technology, H-1111 Budapest, Gellért tér 4. , Budapesti Műszaki és Gazdaságtudományi Egyetem, Kémiai Informatika Tanszék, 1111 Budapest, Gellért tér 4.

Keywords:

molecular weight distribution, design, method of monodisperse growth

Abstract

The physico-chemical properties of polymers are highly affected by the lengths and relative amounts of chains, hence the importance of the prediction of the molecular weight distribution (MWD) is evident. In this work a living anionic polymerisation reaction has been modeled with the method of monodisperse growth. An ideal living anionic polymerisation is made up of an instantaneous initiation and a propagation reaction step. The method applied (monodisperse growth) has been specifically developed for the calculation and design of MWD in ideal living polymerisation. The method is based on the convolution method, but neglecting the dispersion caused by chain growth, consequently, the resulting MWD is only an approximate one. In this work also the assumption of instantaneous initiation has been used in order to simplify calculations. The calculated approximate MWDs have been tested against the precise ones calculated with slow methods for the sake of the tests. In addition, a design algorithm has been derived from the calculation method applied, and it has been applied to predict reactor conditions for polymerisation in a continuous stirred tank reactor (CSTR).

Author Biography

  • Eszter Farkas, Budapest University of Technology and Economics, Department of Chemical Information Technology, H-1111 Budapest, Gellért tér 4., Budapesti Műszaki és Gazdaságtudományi Egyetem, Kémiai Informatika Tanszék, 1111 Budapest, Gellért tér 4.

    corresponding author
    farkase@freemail.hu

References

Gosden, R. G., Auguste, S., Edwards, H. G. M., Johnson, A. F., Meszéna, Z. G., Mohsin, M. A. (1995). Living Polymerisation Reactors: Part I. Modelling and simulation of flow reactors operated under cyclical-steady-state feed conditions for the control of molecular weight distribution. Polym. React. Eng., 3. 331–359.

Meszéna, Z. G. (1998). Molekulatömeg-eloszlás számítása élő polimerizációs reakciónál. Műanyag és Gumi, 35. 293–300.

Meszéna, Z. G., Viczian, Z., Gosden, R. G., Mohsin, M. A., Johnson, A. F. (1999). Towards tailored molecular weight distributions through controlled living polymerisation reactors: a simple predictive algorithm. Polym. React. Eng., 7(1), 71–95. https://doi.org/10.1080/10543414.1999.10744500

Farkas E., Meszéna Z. (2002). Molekulatömeg-eloszlás számítása és tervezése élő polimerizációs reakcióknál. Műszaki Kémiai Napok, Veszprém.

Meszéna, Z. G., Gosden, R. G., Johnson, A. F. (1998). Molekulatömeg-eloszlás tervezése élő polimerizációs reakcióknál, Műszaki Kémiai Napok, Veszprém.

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Published

2003-10-15

Issue

Vol. 7 No. 3 (2003): Acta Agraria Kaposváriensis

Section

Articles

License

Copyright (c) 2003 Farkas Eszter, Meszéna Zsolt

Creative Commons License

This work is licensed under a Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International License.

How to Cite

Farkas, E., & Meszéna, Z. (2003). Molecular weight distribution design with living polimerisation reactions. Acta Agraria Kaposváriensis, 7(3), 119-133. https://journal.uni-mate.hu/index.php/aak/article/view/1669

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