Modeling Permeation in Multilayer Polymer Structures

The patent creates a computational model that replicates the physical permeation process. The model uses numerical simulations to copy the behavior of essence permeation through multilayer structures, allowing validation without performing time-consuming physical experiments. The computational approach reproduces the same physical phenomena (diffusion, sorption, swelling) in a virtual environment, reducing validation time from months to days while maintaining measurement precision.

The patent replaces the physical experimental system with a computational numerical model. Instead of using physical multilayer polymer structures and performing actual permeation experiments, the invention uses computer-based simulations with partial differential equations to model the permeation process. This substitution eliminates the time constraint of physical experiments while preserving the accuracy of measurements through rigorous mathematical modeling.

The patent systematically varies key parameters such as layer thickness, material composition, and stacking sequence to optimize barrier performance. The computational model allows rapid exploration of different parameter combinations to identify optimal configurations that meet environmental standards. By changing parameters in silico rather than through repeated physical prototyping, the method achieves reliable barrier performance while managing structural complexity through informed design decisions.

The patent employs multilayer composite structures combining different polymer materials (e.g., polyethylene, polyamide, EVOH) with distinct barrier properties. Each layer is selected and positioned to address specific permeation challenges for different essence components. The computational optimization determines the optimal composite configuration, balancing the complexity of multiple layers against the need for superior barrier performance required by stringent environmental regulations.

The patent incorporates film thickness as a variable parameter in the computational model. By modeling the permeation process with explicit dependence on thickness, the system can predict full-scale tank behavior from thin-film experimental data. The numerical solution of partial differential equations accounts for thickness effects, allowing accurate extrapolation from rapid thin-film measurements to full-thickness tank performance, thus maintaining measurement precision while achieving high productivity.

The computational model serves as an intermediary between thin-film experiments and full-scale tank validation. The model takes experimental data from thin films as input, processes it through rigorous mathematical relationships that account for thickness effects, and outputs predictions for full-thickness structures. This intermediary approach enables rapid validation through thin films while preserving measurement accuracy for actual tank applications.