Modeling domain growth of polymer melt crystallization

Area of Science:

• Thermodynamics
• Polymer Science
• Materials Science

Background:

• Polymer melt crystallization is crucial for material properties.
• Understanding solidification kinetics requires advanced thermodynamic models.
• Existing models may not fully capture non-equilibrium effects.

Purpose of the Study:

• To model subcooled polymer melt crystallization using non-equilibrium thermodynamics.
• To develop a model based on dissipation principles and nonlinear differential equations.
• To analyze the influence of key parameters on solidification front dynamics.

Main Methods:

• Utilized non-equilibrium thermodynamics and a dissipation argument.
• Formulated a model with coupled thermal energy balance and Fisher-type rate law.
• Analyzed traveling wave solutions in 1 and 2 dimensions for various parameters.
• Investigated the impact of Stefan number (λ) and dispersion coefficient (β).

Main Results:

• Developed a model predicting sharp solidification fronts controlled by crystallization kinetics.
• Showed that interface undercooling scales with front speed.
• Demonstrated that the Stefan number (λ) controls equilibrium solidification, while (β) influences front speed.
• Confirmed model robustness against variations in nucleation terms and interfacial energy.

Conclusions:

• The non-equilibrium thermodynamic model accurately simulates polymer melt crystallization kinetics.
• The model provides insights into the relationship between thermodynamic parameters and solidification behavior.
• Predictions are consistent with experimental data for polymer melts.