| Titre : |
Application of molecular dynamics computer simulations to evaluate polymer–solvent interactions |
| Type de document : |
texte imprimé |
| Auteurs : |
Armando Gama Goicochea, Auteur ; Manuel Briseño, Auteur |
| Année de publication : |
2012 |
| Article en page(s) : |
p. 279-286 |
| Note générale : |
Bibliogr. |
| Langues : |
Américain (ame) |
| Catégories : |
Copolymères séquencés
Dynamique moléculaire
Paramètres de solubilité
Polymères -- Solubilité
Simulation par ordinateur
solvants
|
| Index. décimale : |
667.9 Revêtements et enduits |
| Résumé : |
In this article, systematic calculation of the radius of gyration (R g) of a block copolymer immersed in various solvents is presented. Using atomistically detailed, molecular dynamics computer simulations, we carry out the calculation of R g at different polymerization degrees, for each solvent. Our results show that, given a solvent and a polymerization degree, R g can display different values. This aspect is found to be a consequence of the spatial conformation of the constitutive blocks that make up the polymer molecule. Finally, we find that there exists a correlation between R g and the solubility parameter and that the trend in R g predicted by our calculations agrees with previous experimental results. |
| DOI : |
10.1007/s11998-011-9364-8 |
| En ligne : |
https://link.springer.com/content/pdf/10.1007%2Fs11998-011-9364-8.pdf |
| Format de la ressource électronique : |
Pdf |
| Permalink : |
https://e-campus.itech.fr/pmb/opac_css/index.php?lvl=notice_display&id=15952 |
in JOURNAL OF COATINGS TECHNOLOGY AND RESEARCH > Vol. 9, N° 3 (05/2012) . - p. 279-286
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Application of molecular dynamics computer simulations to evaluate polymer–solvent interactions in JOURNAL OF COATINGS TECHNOLOGY AND RESEARCH, Vol. 9, N° 3 (05/2012)
