| Titre : |
Monte Carlo simulation of polymer syntheses: a useful tool to judge the REACH and OECD polymer status |
| Type de document : |
texte imprimé |
| Auteurs : |
Henk J. W. Van Den Haak, Auteur |
| Année de publication : |
2018 |
| Article en page(s) : |
p. 671-678 |
| Note générale : |
Bibliogr. |
| Langues : |
Américain (ame) |
| Catégories : |
Chimie industrielle -- Législation
Chromatographie sur gel
Monte-Carlo, Méthode de
Polymères -- Synthèse
Simulation par ordinateur
|
| Index. décimale : |
667.9 Revêtements et enduits |
| Résumé : |
The REACH or OECD polymer definition requires a certain chain length, rather than a molecular weight. This makes it very difficult to decide from gel permeation chromatography (GPC) alone whether a substance complies with the REACH polymer definition. Therefore, in parallel to the real in vitro syntheses, we simulated the preparation of polycondensation and polyaddition resins by means of well-known Monte Carlo methods. The output of these simulations (basically a list of all the molecules formed, their molecular weights, and their relative quantities) was used to simulate a GPC. The simulation parameters (reaction types and relative reaction rates) were adapted until a good match between the measured and the simulated GPC was obtained. The simulation was then considered trustworthy. This appeared to be a strong tool to judge if a product is a polymer according to REACH, EPA, or emerging worldwide legislation. |
| Note de contenu : |
- Simulation of polymerizations
- Simulation of the GPC
- REACH
- EPA |
| DOI : |
10.1007/s11998-018-0043-2 |
| En ligne : |
https://link.springer.com/content/pdf/10.1007%2Fs11998-017-0043-2.pdf |
| Format de la ressource électronique : |
Pdf |
| Permalink : |
https://e-campus.itech.fr/pmb/opac_css/index.php?lvl=notice_display&id=30845 |
in JOURNAL OF COATINGS TECHNOLOGY AND RESEARCH > Vol. 15, N° 4 (07/2018) . - p. 671-678
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Monte Carlo simulation of polymer syntheses: a useful tool to judge the REACH and OECD polymer status in JOURNAL OF COATINGS TECHNOLOGY AND RESEARCH, Vol. 15, N° 4 (07/2018)
