چكيده به لاتين
Today, the design and production of membranes with minimal fouling when using them is one of the important goals of industrialists that attracting the attention of a large number of researchers. In this regard, in this project, the molecular simulation (MD) and coarse graind have been studied and the fuzzy and hydrophilic separation behavior of polyvinylidine fluoride (PVDF) mixtures and modified m-PMMA polymethyl methacrylates have been investigated and To be evaluated. In this regard, in this project, the molecular dynamics (MD) and Coarse-graind simulation on the pahse separation behavior and hydrophilicity of Polyvinylidene fluoride (PVDF) and modified polymethyl methacrylate (M-PMMA) blends have been investigated and To be evaluated. poly [2-(Methacryloyloxy) ethyl] dimethyl-(3-sulfopropyl) ammonium hydroxide (PMEDSAH) was grafted to PMMA to promote the hydrophilicity of the blend. To use Dissipative Particle Dynamics (DPD) simulation, the interactions of Florry-Haggins (χ) were obtained between polymers and Zwitterion by the MD method. Then by using the DPD method, the final morphology of the various blend models was obtained over a period of 500 nanoseconds. Also, the radial distribution function (RDF) and order parameter (density distribution parameter) were used to investigate the PVDF and M-PMMA miscibility. In order to investigate the hydrophilicity of blends, the contact angle analysis was used by applying the water droplet on the surface. The results of simulations show that blends with M-PMMA composition of more than 50% have the most miscibility and phase dispersion. Also, in order to use in membrane model, the highest amount of hydrophilicity and miscibility was observed from the modified PMMA with 5% Zwitterion. Also, by increasing the Zwitterion content to more than 5% in M-PMMA, the phase dispersion was redused and the fully phase saparation was observed. In general, the addition of PMMA to PVDF improved the blend's hydrophilicity and did not affected on the phase separation. Also, the addition of Zwitterion because of the excistance of positive and negative charges as well as its intense hydrophilicity led to a sharp decrease in the water contact angle of the blend. Of course, adding Zwitterion to the blend created a phase separation phenomenon.
