title: Feasibility study for the development of certified reference materials for specific migration testing. Part 2: estimation of diffusion parameters and comparison of experimental and predicted data.
abstract: This paper describes the second part of a project whose main objective was to develop the know-how to produce certified reference materials (CRMs) for specific migration testing. Certification parameters discussed are the diffusion coefficient, D(P), the respective polymer-specific coefficient, A(P), of the migrant polymer combinations and the partitioning coefficient, K(P,F), describing the partitioning of the migrant between the polymer and a food simulant. The parameters were determined for 16 preliminary candidate CRMs. Each parameter was determined by one laboratory. The six materials most suitable as reference materials were selected and the parameters then determined by four laboratories. The coefficients resulting from this small-scale interlaboratory comparison study can be regarded as the most reliable values available to date. These coefficients were applied for a comparison of experimental and predicted migration data. The experimental migration data arose from the same project and were determined by one laboratory for the first 16 materials and subsequently by four laboratories for the six materials selected in the second phase. Overall, experimental and predicted migration data fit together quite well. Roughly half of the predicted data were within +/-10%; almost all predicted data were within +/-40% compared with the experimental data.
authors.affiliation: Fraunhofer Institute for Process Engineering and Packaging, Freising, Germany.
authors.forename: N H
authors.initials: NH
authors.lastname: Stoffers
authors.forename: R
authors.initials: R
authors.lastname: Brandsch
authors.forename: E L
authors.initials: EL
authors.lastname: Bradley
authors.forename: I
authors.initials: I
authors.lastname: Cooper
authors.forename: M
authors.initials: M
authors.lastname: Dekker
authors.forename: A
authors.initials: A
authors.lastname: Störmer
authors.forename: R
authors.initials: R
authors.lastname: Franz
mesh_terms: D001577:Benzophenones / Q000737:chemistry; D002070:Butadienes / Q000737:chemistry; D002084:Butylated Hydroxytoluene / Q000031:analogs & derivatives* / Q000737:chemistry; D002209:Caprolactam / Q000737:chemistry; D000431:Ethanol / Q000737:chemistry; D005240:Feasibility Studies; D005506:Food Contamination / Q000032:analysis*; D007700:Kinetics; D017905:Phosphites / Q000737:chemistry; D011108:Polymers / Q000737:chemistry*; D012015:Reference Standards; D015203:Reproducibility of Results; D020058:Styrene / Q000737:chemistry; D013696:Temperature
chemical_list: D001577:Benzophenones; D002070:Butadienes; D017905:Phosphites; D011108:Polymers; D002084:Butylated Hydroxytoluene; C024538:Irganox 1076; C083748:tris-(2,4-di-tert-butylphenyl) phosphite; D000431:Ethanol; D020058:Styrene; D002209:Caprolactam; C104570:(2-hydroxy-4-(octyloxy)phenyl)phenylmethanone; C012939:1,4-diphenylbutadiene