You are encouraged to navigate through the different documents before using the different tools and databases. It is in particular required if you are not familar:
i) with EU Regulation of Food COntact Materials, ii) with polymer formulation and physico-chemistry and iii) with mass transfer modeling.

• Design of safe food packaging under uncertainty (in English) Authors: O. Vitrac and M. Hayert.
  In "New trends chemical engineering research", Ed. L. P. Berton, Nova Science Publishers, New York, 2007, p251-292.
• Modeling of the contamination of food by packaging substances (in French) Authors: O. Vitrac and C. Joly.
  In "Techniques de l'Ingénieur - Section Mathématiques Appliquées", Ed. M. Defranceschi, Techniques de l'Ingénieur, Paris (à paraître), 70p.
• Physico-chemical phenomena that control the contamination of food by packaging substances(in French)
  Authors: O. Vitrac and C. Joly. In "Techniques de l'Ingénieur - Section Chimie ", Ed. M. Defranceschi, Techniques de l'Ingénieur, Paris (à paraître), 71p.

• Last session of European courses: Migration Modeling (in English)
  Author: O. Vitrac In "The use of diffusion modelling to predict migration", November 7-8th, Joint Research Centre, Ispra (Italy), 106 slides.
• Practical work (in English)
  Author: O. Vitrac (extension of the examples described in the practical guide)

• HELP CENTER for the SAFE FOOD PACKAGING PORTAL (click at the bottom of each image to see a menu)

• Related publications in international journals Recommended for advanced users only.

The physical assumptions are described in the introductive documents above and the principles of the mathematical methods are given along the tools.

• 3D»1D approximations comprehensive geometrical modeling of complex food+packaging systems (with 3D and transparency).

• Desorption from monolayer materials version recommended (using the new FV Multilayer engine).
• Desorption from multilayer materials version recommended (optimized and fast code based on our Finite Volume simulation engine).
• Pemeation/sorption through multilayer materials for advanced users (using the FV Multilayer engine).

• Monolayer materials (standard Finite Element and semi-analytical formulations), source code.
• Multilayer materials (standard Finite Element formulation),  source code, additional comments.
• extensions to 2D and 3D geometries (sophisticated approaches, which are conventionally only required for volatile contaminants).
• Probabilistic modeling for advanced users only.

For a general discussion on numerical techniques applied to multilayer materials, read this paper and this presentation.

Simulation tools require several properties (e.g. composition, transport properties and regulatory values (SML)), whose certain values are tabulated in our databases.
This section is dedicated to common properties and formulation of polymers. In addition, it provides different tools to navigate through the different nomenclatures.
Since nomenclatures are variables (either standard or proprietary), a unique search tool is pending.

• Search Molecules in QSPR-MS databases according to a combination of criteria (SMT-CT-98-7513 database dedidicated mainly to polyolefines).
• Extended search tool (searchs by chemical name, PMREF, CAS, search by commercial name is not implemented )
• Search SML and maximum concentration in polymers in all our available databases (QSPR-MS databases are combined with data from the practical guide).
• Search polymer properties glass tansition temperatures and melting points.

• European databases restricted access (it requires a specific account)

This section is devoted to diffusion coefficients, which are required in simulation and decision tools. Please, note that available data are far from to be exhaustive for all polymers,
thermodynamical conditions and properties. Partition coefficients values (or Henry like coefficients) required for multilayers are in particular pending.

• Robust D estimator calculates a realistic or overtimates of diffusion coefficients (D) with a controlled risk of underestimation.
  Calculations are based on regression trees described in Vitrac et al. (2006).
• Classification of molecules displays all molecules that belong to a same class including their statistics.
• 3D Regression Tree generates a tree plot of all molecules available in a given database.
• Pruning optimization checks the effect of pruning on a particular D estimate.
• Nomenclator lists all available molecules (include formula, CAS# and chemical name).

• Piringer calculator strong overestimates of D values (unreliable safety margin).

The introductive section presents some new concepts to help the design of safer packaging materials. We propose here numerical tools in connection
with these concepts. Note that they use in real time and for thousands conditions the capabilities of previously mentioned simulation tools.

• Numerical tool and interface optimized for the food industry (its speed should be improved in a next step)
  (You are encouraged to read before: Design of safe food packaging under uncertainty or Modélisation de la contamination des aliments emballés)
• Web interface optimized for the packaging industry Note that it provides only a web interface to existing tools (it is not interactive)
• Tools to optimize the process of recycled materials (tools developed along the EU project/FP5/Recycling).

When you feel uncertain on the application of simulation and decision tools. Please, refer to official texts to understand your obligations
in particular regarding risk assessment and risk management. You are expected not to ignore last scientific sound results or emerging issues.

• a practical introduction to compliance to EU regulation
• Website of EU regulation
• Regulations and directives
• List of all regulated substances
• Emerging issues at EU level

Our ambition and responsability are limited. The information and the tools on our servers are provided "as is" and no guarantee or warranty is given that the results are fit for any particular purpose.
The user thereof uses the information as its sole risk and liability (read our legal notice). However, we will try to do our best to improve them or to offer a signicant assistance. Besides, feel free to address
and discuss other interesting questions or issues in the field of the safety of packaging materials.

• Bug report Do not forget to describe in details the encountered problem (include: inputs, snapshots...)
• Need assistance Describe your needs and expects.
• Suggestions and comments Feel free to suggest, comment, amend (either positively or negatively).
• Ask to experts You have a particular problem, it is confidential and you need high level expertise.
  Describe briefly the field of your problem, the expertise you need. We will contact you.