Simulating polymer crystallization in thin films: Numerical and analytical methods

• A general numerical method, based on the pixel coloring method, is proposed to simulate crystallization of polymers.
• Crystallization of thin films: Application of the new method and comparison with recent analytical models.
• Determination of the limits of the analytical model for thin film with transcrystallinity and proposition of some improvement.

In this paper, a general numerical method to simulate polymer crystallization under various conditions is proposed. This method is first validated comparing its predictions with well-validated analytical models in infinite volumes. Then, it is compared to Billon et al. validated model for thin films, without or in presence of transcrystallinity on the films surfaces. It is also compared with Chenot et al. model for thin films, proposed in a conference in 2005 and never yet compared with other methods. Finally, it is also compared with an extension of this model for the transcrystalline case. These models are valid for general nucleation cases (not only sporadic or instantaneous), and can be used for any thermal conditions. All the numerical and analytical results are consistent, except in a case which is shown to be out of the validity domain of the transcrystalline case extension of Chenot et al. model.

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