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A Simple Approach to Characterize Sorption and Release Kinetics in Polymeric Materials with Planar, Cylindrical or
Sara Exojo-Trujillo1, Laura Higueras-Contreras1, Carol López-de-Dicastillo1
1Packaging Group, Instituto de Agroquímica y Tecnología de Alimentos, CSIC, C/Agustin Escardino 7, 46980 Paterna, Spain.
This study introduces a new method to model how substances move in polymers across different shapes. It simplifies calculating diffusion coefficients, crucial for materials science and product development.
Area of Science:
- Polymer Science
- Materials Science
- Chemical Engineering
Background:
- Modeling substance sorption and release in polymers is essential for various applications.
- Existing analytical solutions are often limited to simple geometries and ideal conditions.
- Accurate estimation of diffusion coefficients is critical for material performance.
Purpose of the Study:
- To develop a universal theoretical framework for modeling sorption and release kinetics in polymers.
- To provide a method for estimating diffusion coefficients applicable to diverse geometries.
- To overcome limitations of classical analytical solutions in mass transfer modeling.
Main Methods:
- Fick's second law was adapted into dimensionless variables.
- Numerical solutions using a finite-difference approach generated universal mass transfer profiles.
- These profiles were fitted with double-exponential equations for explicit expression.
Main Results:
- Universal mass transfer profiles were generated for planar, cylindrical, and spherical geometries.
- Explicit expressions were derived for straightforward estimation of diffusion coefficients.
- The method demonstrated excellent agreement with literature data for films, fibers, and microspheres.
Conclusions:
- The proposed theoretical framework offers a versatile approach for modeling diffusion in polymers.
- This method is applicable to a wide range of geometries found in practical applications.
- It provides a more robust alternative to classical solutions for estimating diffusion coefficients.
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