1.
Food Packaging
Migration Models and
Their Reliability in
Safety Validation
Created by:
Ziynet Boz, Ph.D.
Packaging Technology and Research LLC.

2.
Created by:
Migration Overview
 Migration mechanism in food-
packaging systems
 Several affecting factors
 Several packaging technologies,
conditions, food types
 Databases generated with food
simulants for compliance
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Migration
Temperature
Concentration
MW
Solubility
Time
Compositions
Partition
Coefficients
Surface/
Volume
Ratio
Contact
type
Mobility

3.
Created by:
Why models?
• Experimental procedures are time-
intensive, costly
• Numerous combinations of packaging-
food-environment
• Risk assessment in decision-making
• Limited migration packaging design
• Lowering the additive diffusivity during
synthesis
• Monomers, antioxidants, stabilizers,
antimicrobials etc.
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4.
Created by:
Regulatory Opinions on Models
 Current state of the models in compliance
• Accepted models for FCMs are oversimplified, deterministic, “worst case”
scenario
• Initial Conditions: uniform distributions, no-migrant in food
• Boundary Conditions: No interface resistance
• No spatial distribution after migration
• Total migration amount is constant (No reaction / generation)
• High solubility of migrant in food (Partition coefficient = 1)
 If result is lower than SML
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5.
Created by:
Migration Models: Deterministic
 Diffusion: Fick’s Law
• Fick’s Second Law of Diffusion
• MW distribution, density, crystallinity, orientation, solubility,
migrant molecular size, shape, plasticization effect, Tg, Tm
 Diffusion coefficient 𝐷𝐴
𝑃
 Partition coefficient 𝐾𝑝
 Assumptions
• C0, food = 0 , migrant is homogenously distributed in Pkg
• Good approximation for single layer packages
• Overestimation ageing, long storage, low MW ->
Overestimation
• Absence of chemical reaction, loss (e.g. evaporation)
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𝜕𝐶𝐴
𝑃
𝜕𝑡
= 𝐷𝐴
𝑃
𝜕2 𝐶𝐴
𝑃
𝜕𝑥2
𝐾𝑝 =
𝐶𝐴
𝑃
(∞)
𝐶𝐴
𝐹
(∞)
𝛼 =
𝑀𝐴
𝐹
(∞)
𝑀𝐴
𝑃
(∞)
=
𝐶𝐴
𝐹
(∞)
𝐶𝐴
𝑃
(∞)
=
𝑉 𝐹
𝐾𝑝 𝑉 𝑃
If 𝛼>>1 & Kp < 1 -> 100% migration

6.
Created by:
Migration Models: Deterministic
6
Bi>100
No Resistance
h is not
infinitive
Diffusion
coefficient
Interaction
effects
Swelling of the packaging materials -> Swelling layer
E.g. Olive oil into PP
(Poças, Oliveira, Oliveira, & Hogg, 2008)

7.
Created by:
Migration Models: Empirical
 Disregarding underlying mechanism
behind coefficients
• Empirical equations for D: LDPE, HDPE, PP -> f(T, MW)
(Arrhenius-like)
• Partitioning, mass transfer, polymer morphology, shape/polarity
of the migrant are not considered
• Piringer Model to determine D with overestimated diffusion
(50% of the results)
• Underestimate the effect of temperature for high MW migrants
• Limm and Hollifield model for additive diffusion in polyolefins
(Arr. Type)
 Weibull model
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Piringer model

8.
Created by:
Migration Models: Probabilistic
 Variability in migration model outputs as a result of the uncertainty in model inputs
 Mixed effect models with deterministic models
 Probability distribution of the diffusion coefficient using Molecular mass
 Distribution of outputs
 Monte Carlo sampling
 Fourier Amplitude Sensitivity Test (FAST)
 Latin hypercube sampling
 Capturing lack of knowledge
• Temperature fluctuations
• Time of contact
• Non-systematic errors
 Uoverall Migration = 2 mg/dm2 or 12 mg/kg

9.
Created by:
Migration Models: Plastics
 Majority of the migration studies are
polyolefins
 Low partition coefficients with non-polar
simulants/foods due to Tg
 Lack of data on polymers glassy at their
temperature of use
 PET requires longer testing time
• Recent studies: Virgin layer migration barrier
 Adhesives, urethane polymers, repeated Pkg
use
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Hexanal Olive oil migration (Gavriil,
Kanavouras, & Coutelieris, 2018)

10.
Created by:
Migration Models: Paper & Paperboard
 Inhomogeneous medium:
Heterogenous, porous, fiber-
based
 Solid products
adsorption/desorption
 Fickian diffusion seems to poorly
estimate low porosity low thickness
 Simulants: Tenax®, Propak®
 Weibull model provides good fit
 Phthalates
 Migrant volatility, polarity, affinity
impact
© INSTITUTE OF FOOD TECHNOLOGISTS | ALL RIGHTS RESERVED10
(Poças, Oliveira, Pereira, Brandsch, & Hogg, 2011)

11.
Created by:
Migration Models: Other materials
 Ceramic and printing inks
 Cadmium and lead migration from
ceramic into acid food simulants was
studied
• Time-temperature influence
• Fickian Diffusion
• 600 h & 130 days
• Ion exchange -> hydrolysis
© INSTITUTE OF FOOD TECHNOLOGISTS | ALL RIGHTS RESERVED11 (Dong, Lu, & Liu, 2015)

12.
Created by:
Simulation Software
 MIGRATEST 2000/2001 Fabes GmbH, Germany
 AKTS SML by Advanced Kinetics Technology Solution, Switzerland
 SMEWISE (Simulation of Migration Experiments with Swelling Effect)
 MULTITEMP, MULTIWISE by Safe Food Packaging Portal
 SFPP3 France
 FMECAengine
 FACET (Flavors, Additives and Food Contact Materials Exposure
Task)
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13.
Created by:
Decision-making Based on Models
 FDA Model, EU Piringer model -> Overestimation 95%
• E.g. HDPE-food simulant, PET-water, AO-Tenax®, Photoinitiator-paper-Tenax®
 Oversimplification and assumptions: Over- or under-estimated
migration
 Possibility of rejecting potentially safe materials and chemicals
 Trained professionals
 Only for known chemicals IAS
 Target group: Converters and Chemical Industry
 High-throughput models only suitable for multiple migrants
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14.
Created by:
Research Gaps
 A more realistic estimation of diffusion coefficients are needed
 Effects of swelling phenomenon
 Environment-package-food systems should be considered
 Data needed beyond regulatory compliance but a food quality perspective
 Actual interactions should be considered E.g. Oxygen effects, Flavor desorption
etc.
 Models of migrants from multilayer materials with numerical methods
 Industrial tools to assess the migration: Practical, Robust
 Non-plastic materials: E.g. paper and paperboard
 Nanomaterial migration assessment
 Emerging modeling methods E.g. Molecular modeling, molecular
thermodynamics, coupled models with human exposure
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15.
Created by:
References
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 20130719applicability_of_mathematical_modelling_for_the_estimation_of_specific_migration_of_substances.pdf. (n.d.-b). Retrieved from
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 Bott, J., Störmer, A., & Franz, R. (2014). Migration of nanoparticles from plastic packaging materials containing carbon black into foodstuffs. Food Additives & Contaminants: Part A, 31(10), 1769–1782. https://doi.org/10.1080/19440049.2014.952786
 Bradley, E. L., Castle, L., & Speck, D. R. (2014). Model studies of migration from paper and board into fruit and vegetables and into TenaxTM as a food simulant. Food Additives & Contaminants: Part A, 31(7), 1301–1309. https://doi.org/10.1080/19440049.2014.914633
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 Cai, H., Ji, S., Zhang, J., Tao, G., Peng, C., Hou, R., … Wan, X. (2017). Migration kinetics of four photo-initiators from paper food packaging to solid food simulants. Food Additives & Contaminants: Part A, 34(9), 1632–1642.
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 Ernstoff, A. S., Fantke, P., Huang, L., & Jolliet, O. (2017a). High-throughput migration modelling for estimating exposure to chemicals in food packaging in screening and prioritization tools. Food and Chemical Toxicology, 109, 428–438.
https://doi.org/10.1016/j.fct.2017.09.024
 Ernstoff, A. S., Fantke, P., Huang, L., & Jolliet, O. (2017b). High-throughput migration modelling for estimating exposure to chemicals in food packaging in screening and prioritization tools. Food and Chemical Toxicology, 109, 428–438.
https://doi.org/10.1016/j.fct.2017.09.024
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16.
Created by:
References
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 Fasano, E., Bono-Blay, F., Cirillo, T., Montuori, P., & Lacorte, S. (2012). Migration of phthalates, alkylphenols, bisphenol A and di(2-ethylhexyl)adipate from food packaging. Food Control, 27(1), 132–138. https://doi.org/10.1016/j.foodcont.2012.03.005
 Feigenbaum, A. E., Riquet, A. M., & Scholler, D. (2000). Fatty Food Simulants: Solvents to Mimic the Behavior of Fats in Contact with Packaging Plastics. In ACS Symposium Series: Vol. 753. Food Packaging (Vol. 753, pp. 71–81). https://doi.org/10.1021/bk-2000-
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 Franz, R. (2005). Migration modelling from food-contact plastics into foodstuffs as a new tool for consumer exposure estimation. Food Additives & Contaminants, 22(10), 920–937. https://doi.org/10.1080/02652030500157700
 Gavriil, G., Kanavouras, A., & Coutelieris, F. A. (2017). Food-packaging migration models: A critical discussion. Critical Reviews in Food Science and Nutrition, 0(0), 1–11. https://doi.org/10.1080/10408398.2017.1317630
 Gavriil, G., Kanavouras, A., & Coutelieris, F. A. (2018a). Can Fick law-based models accurately describe migration within a complete food product life cycle? Journal of Food Processing and Preservation, 42(2), e13520. https://doi.org/10.1111/jfpp.13520
 Gavriil, G., Kanavouras, A., & Coutelieris, F. A. (2018b). Food-packaging migration models: A critical discussion. Critical Reviews in Food Science and Nutrition, 58(13), 2262–2272. https://doi.org/10.1080/10408398.2017.1317630
 Gehring, C., & Welle, F. (2018). Migration Testing of Polyethylene Terephthalate: Comparison of Regulated Test Conditions with Migration into Real Food at the End of Shelf Life. Packaging Technology and Science, 31(12), 771–780. https://doi.org/10.1002/pts.2291
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 Holmes, M. J., Hart, A., Northing, P., Oldring, P. K. T., Castle, L., Stott, D., … Wardman, O. (2005). Dietary exposure to chemical migrants from food contact materials: A probabilistic approach. Food Additives & Contaminants, 22(10), 907–919.
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 Jokar, M., Pedersen, G. A., & Loeschner, K. (2017). Six open questions about the migration of engineered nano-objects from polymer-based food-contact materials: a review. Food Additives & Contaminants: Part A, 34(3), 434–450.
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17.
Created by:
References
 Migration of Residual Monomers From Plastics Into Food. (n.d.). Retrieved June 13, 2018, from ResearchGate website: https://www.researchgate.net/publication/321022473_Migration_of_Residual_Monomers_From_Plastics_Into_Food
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 Poças, M. F., Oliveira, J. C., Oliveira, F. A. R., & Hogg, T. (2008a). A Critical Survey of Predictive Mathematical Models for Migration from Packaging. Critical Reviews in Food Science and Nutrition, 48(10), 913–928. https://doi.org/10.1080/10408390701761944
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 Welle, F., & Franz, R. (2011a). Migration of antimony from PET bottles into beverages: determination of the activation energy of diffusion and migration modelling compared with
literature data. Food Additives & Contaminants: Part A, 28(1), 115–126. https://doi.org/10.1080/19440049.2010.530296
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