Various properties of substances within packaging materials can be calculated using Simcenter Culgi software. These are essential for approving the packaging material according to European Union (EU) regulations and are important input parameters for macroscopic permeation models.
Simcenter Culgi offers an extensive suite of algorithms and a variety of applications
Simcenter Culgi includes permeation-relevant chemical modeling for all scales (quantum, molecular, mesoscopic and macroscopic), with an extensive suite of algorithms for chemical informatics and data-driven modeling. The software can be used for a variety of applications:
Understanding the diffusion mechanism on a molecular level
Calculating material and migrant-specific parameters required in macroscopic transport models
Extending validated experiments to comply with EU and American regulations
Optimizing materials for specific permeation challenges
Cost-effectively modeling claimed compositions in patent literature based only on a provided chemical composition
Download the white paper to learn more on how to comply with packaging standards via simulation.