Etudiant : LEMLYH MAJDA

Filière : Master Matériaux et Applications pour l’Energie Photovoltaïque (MAEP)

Encadrant : Pr. AHFIR RACHID

Annèe : 2023

Résumé : In this work, we studied a smart system, formed by a neutral O/W microemulsion, in the presence of a telechelic polymer PEO, modified with two hydrophobic end-functions (PEO-2m), and a charged cationic surfactant Cp+, at different amounts ( = 0.22%,  = 0.50%,  = 0.75%,  = 1.00%), at low volume fraction  = 2.8%. We have combined molecular dynamics simulation (MD), and Ornstein-Zernike integral equations, with the hypernetted chain closure relation (HNC), to probe the structural properties of the studied system. We are interested in the influence of charge rate on the structure of our system. To this end, we first study the pair correlation function g(r) of the bare microemulsion, then examine the effect of the addition of PEO-2m on the structure of the microemulsion and study the increase in the loading rate on the behavior of g(r). In all the cases examined, the radial distribution functions calculated from the two approaches are in very good agreement, showing that the modeled potential perfectly describes the system studied. Thus, we can use the validated MD simulations to calculate the dynamic properties of this system.