Advances in Polymer Processing 2020 by Christian Hopmann & Rainer Dahlmann

Author:Christian Hopmann & Rainer Dahlmann
Language: eng
Format: epub
ISBN: 9783662608098
Publisher: Springer Berlin Heidelberg

3 A New Kinetic Model and Its Parameters

To improve accuracy of prediction, especially in the later stages of reaction, a new kinetic model for polyurethane systems has been developed earlier at Covestro Deutschland AG, Leverkusen, Germany [22, 23]. The semi-empirical model uses the Rabinowitch approach to compute the total reaction rate constant ktot(T) by combining a kinetic rate constant kkin(T) with a diffusional rate constant kdiff(T). The diffusional rate constant is necessary to describe the reaction hindrance due to diffusion effects at high conversion levels. kkin(T) is expressed as the sum of a traditional and an m-th order autocatalytic Arrhenius term. Another Arrhenius term is used in combination with an empirical sigmoidal term to yield kdiff(T):

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