Dr. Olivier Vitrac lectures and workshops

Date: July 1, 2015
Location: School of Packaging, MSU

LECTURES ABOUT

“PREDICTION OF MASS TRANSFER IN POLYMERS”

by OLIVIER VITRAC, Ph.D.

INRA, FRANCE

When

Presentation

Where

29th June (Monday)

10:00am-11:00am

Diffusion coefficients of organic solutes in polymers: new perspectives of prediction

Conference Center, Room 100, School of Packaging

Abstract: Diffusion coefficients in and through polymers are of general interest in many technological applications from material science, membranes to packaging applications. It is had been thought for decades that they could not be predicted from first principles for bulky and flexible solutes. This presentation bridges two theories, the free-volume and the Rouse theory, to reproduce the scaling of diffusion coefficients of solutes with linearly repeated patterns in arbitrary polymers at any temperature. The resulting approach is demonstrated for both aliphatic and aromatic solutes based on molecular simulations and experimental data. Extensions to other branched solutes are sketched.

NO NEED TO REGISTER FOR THIS ON CAMPUS SESSION
TO REGISTER FOR THE ONLINE WEBINAR VIA this link for ZOOM:
https://msu.zoom.us/webinar/register/c35f709b7978dba934538d7d4481ef37

30th June (Tuesday)

2:00pm-3:00pm

An atomistic Flory-Huggins formulation for the tailored prediction of activity and partition coefficients

The Ternes Outreach Center, Room 120, School of Packaging

Registration required

Abstract: Claiming that activity coefficients are the easiest properties to calculate was a utopia until few years ago. Conventional techniques sample configurational space by particle insertion/deletion methods or by thermodynamic integration ones. They are particularly time-consuming and almost intractable for large solutes in entangled polymer matrices. Conversely, we developed new tailored methods to estimate chemical potentials or activity coefficients in situations met in food packaging applications: aqueous dominant mixtures, homopolymers and copolymers. They rely on a compressible Flory-Huggins formulation at atomistic scale with additional entropy and enthalpy corrections inferred by molecular dynamics simulation. Corrections are particularly important to reproduce radial distributions, cooperative hydrogen bonding and the residual elastic energy in glassy polymers. The whole approach has been validated to estimate partition coefficients of various substances (e.g., aroma, plastic additives, homologous series of alkanes and alcohols) between a broad range of polymers and food simulants.

TO REGISTER FOR THIS WORKSHOP FOR THE ON CAMPUS VIA OUR ONLINE STORE in the link below
TO REGISTER FOR THE ONLINE WEBINAR VIA this link for ZOOM: https://msu.zoom.us/webinar/register/779419c4bb80edd47c24e00bf0acd2b8

1st  July (Wednesday)

2:00pm-4:00pm

Workshop: Prediction of the migration: beyond conventional estimates*

The Ternes Outreach Center, Room 120, School of Packaging

Registration required

Abstract: Regulations in the EU and the US authorize the use of migration modeling to demonstrate the compliance of food contact materials or substances. The legal basis assumes that there is enough scientific evidences to support compliance but not for non-compliance. This presentation will give an overview of the different recognized methods to overestimate the migration in food and consumer exposure. In simple cases, the overestimation can originate from conservative assumptions or from probabilistic estimates. For more sophisticated cases involving complex designs or industrial practices along the supply chain, more robust approaches are required. A recent methodology based on Failure Mode and Effects and Criticality Analysis will be illustrated as well as the concepts of food packaging “safe-by-design”. http://modmol.agroparistech.fr/SFPD/

TO REGISTER FOR THIS WORKSHOP FOR THE ON CAMPUS VIA OUR ONLINE STORE in the link below
TO REGISTER FOR THE ONLINE WEBINAR VIA this link for ZOOM: https://msu.zoom.us/webinar/register/e08da4592b7a3858d746f627e8486654

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Choose the “worshop” option in the online store; registration is free. 

 

Dr. Olivier Vitrac

Researcher at the French National Institute for Agricultural Research (INRA), Massy, France

Dr. Vitrac is a graduate from the Paris Institute of Technology (ParisTech) in Chemical Engineering (PhD and MS) and from the AgroSup Dijon in Food-Processing Engineering (Eng. degree). He has been researcher at the International Center for Tropical Agriculture in Colombia (member of the Consultative Group on International Agricultural Research). He was a postdoctoral fellow at the French Centre de coopération internationale en recherche agronomique pour le développement (CIRAD).

He has authored more than 40 original scientific articles and more than 20 book chapters. He is a specialist of mass transfer and multiscale modeling from molecules to large simulations for chemical risk assessment. His work covers theory, experiments and probabilistic simulation of mass transfer in and through polymeric and porous materials. Most of his approaches have been distributed freely through the Safe Food Packaging Portal initiative or through separated open-source projects.

Dr. Vitrac collaborated to several projects funded by the EU union. He coordinated the project SafeFoodPack Design funded by the French National Research Agency (2011-2014). He collaborates regularly with industry (e.g. EDF, Solvay, Cargill, McCain, Pepsi-Cola, Pernod, SEB…) and provides public expertise for the EU Commission, and, recently, for the FDA on advanced modeling issues.