| Titre : | Conception d’un nouveau matériau polymère intelligent dopé avec des nanoparticules Ferrofluide |
| Auteurs : | BOUDRAA Kamel Eddine, Directeur de thèse ; Zouati Noureddine, Auteur |
| Type de document : | texte imprimé |
| Editeur : | univ DR taher moulay saida, 2024 |
| Format : | 118 p / ill / 29 cm |
| Accompagnement : | CD rom |
| Langues: | Français |
| Catégories : | |
| Mots-clés: | Poly(N-(2-hydroxypropyl)methacrylamide) (PHPMA) ; Nanocomposites ; Molecular dynamics simulation ; Metal oxide nanoparticles |
| Résumé : |
The search for materials reactive to various external stimuli such as mechanical force, temperature, magnetic,
or electric fields is of increasing interest within the scientific community. Many experimental studies focus on polymer/inorganic material composites, advantageously combining mechanical, electrical, and optical properties. These materials find diverse applications, from biology to electronics, including optoelectronics and microfluidics, serving as sensors, microrobots, micro-pumps, or actuators. In this study, molecular dynamics (MD) simulation is employed to investigate the effect of Fe 2 O 3 nanoparticles on the structural and thermomechanical properties of Poly(N-(2-hydroxypropyl)methacrylamide) (PHPMA) nanocomposites using Materials Studio software. Five molecular models of pure PHPMA and PHPMA/Fe 2 O 3 nanocomposites with different NP sizes and concentrations were constructed and analyzed. The dynamics of the various models were studied using mean square displacement (MSD), and their glass transition temperature (T g ) was estimated using density-temperature and MSD evaluation methods. The results showed that the presence of Fe 2 O 3 nanoparticles in the PHPMA matrix increases the molecular mobility and flexibility of the polymer chains, decreases their T g , and reduces the interaction between the polymer chains. Mechanical properties such as Young's modulus, bulk modulus, and shear modulus of PHPMA polymer are significantly decreased by the introduction of Fe 2 O 3 nanoparticles. The results also indicated that the effectiveness of nanoparticles on polymer properties can be strongly influenced by nanoparticle characterization. Specifically, the molecular mobility and flexibility of PHPMA nanocomposites increase with increasing NP size and concentration, while T g and the interaction between polymer chains, as well as the mechanical properties of PHPMA nanocomposites, show a negative correlation with increasing NP size and concentration. These findings provide insight into the effect of Fe 2 O 3 nanoparticles on the structural and thermomechanical properties of PHPMA nanocomposites and can be useful for optimizing their design and application in various fields. |
| Note de contenu : |
1 Généralités sur les Heuslers
2 Théorie de la fonctionnelle de densité 3 Méthode des ondes planes augmentées et linéarisées 4 Résultats et discussions |
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Documents numériques (1)
TECT3103 Adobe Acrobat PDF |
