migraSIM

Solving Ficks 2nd law of diffusion for simulation of mass transport:
\( \partial_t c = - D\,\partial_{xx} c \)
grid

migraSIM – migration simulation – a numerical solver for supporting safety evaluation and risk assessment in the context of consumer safety, e.g. drinking water, food, cosmetics, toys, pharmaceuticals, and other consumer products. The solver simulates the migration processes in multilayer systems based on the law of diffusion and partitioning. migraSIM ist provided as a service (AaaS – algorithm as a service).

The numerical algorithm of migraSIM is built with well-established numerical methods. The diffusion equation is discretised with a full implicit cell-centred Finite Volume scheme using a grid refinement for improved accuracy.

Our migration modelling solution is capable to perform all material related migration simulations, including:

  • unlimited number of layers
  • multiple migrants
  • multi step time/temperature profiles
  • repeated use
  • database backend with predefined polymers and substances (customer specific)
  • graphical output incl. storage option
  • export of data to other applications in various formats (e.g. CSV or XLS)
  • different estimation methods for the diffusion coefficient (according to Piringer, Welle, Brandsch)
  • cartesian and polar coordinates
  • can use the polymers, simulants and migrants stored in migraBASE

With migraSIM the examples of the UBA guidline can be reproduced see here.