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    Investigation on Wettability Alteration of Reservoir Rocks by Functionalized Silica Nanoparticles using Molecular Dynamics Simulations

    , M.Sc. Thesis Sharif University of Technology Sepehrinia, Kazem (Author) ; Mohammadi, Aliasghar (Supervisor) ; Seyfkordi, Aliakbar (Supervisor)
    Abstract
    The properties of 3 nm-diameter fluorinated silica nanoparticles with different coverage percent of CF3 groups as water and oil repellents were investigated at the water-rock and decane-rock interface using molecular dynamics simulation. Simulating a pore of rock in presence of water and decane molecules separately, resulted in liquid bridging for both of liquids. The density profiles of liquids in the pore clearly show several highly ordered layers packing of the molecules close to the rock surface. Distribution of liquid molecules around the nanoparticles is much influenced with increasing CF3 groups on the nanoparticle surface. Results show that adsorption of functionalized silica... 

    Study on the catalytic activity and theoretical modeling of a novel dual acidic mesoporous silica

    , Article RSC Advances ; Volume 4, Issue 32, 2014 , 2014 , Pages 16647-16654 ; ISSN: 20462069 Vafaeezadeh, M ; Fattahi, A ; Sharif University of Technology
    Abstract
    A novel mesoporous silica-functionalized dual Brønsted acidic species has been introduced as an efficient catalyst for solvent-free esterification of fatty acids with ethanol. The structure of the catalyst has been characterized by FT-IR spectroscopy, thermal gravimetric analysis (TGA), TEM and N2 adsorption-desorption. TGA of catalyst 1 showed no weight loss before 200 °C, indicating a high degree of hydrophobicity of the surface of the mesoporous silica. TEM images and nitrogen adsorption-desorption showed no noticeable changes to the structure of the catalyst before and after acid treatment. pH metric analysis was performed for the catalyst to determine the loading of the acidic sites.... 

    Hyperbranched polyethylenimine functionalized silica/polysulfone nanocomposite membranes for water purification

    , Article Chemosphere ; Volume 290 , 2022 ; 00456535 (ISSN) Vatanpour, V ; Jouyandeh, M ; Akhi, H ; Mousavi Khadem, S. S ; Ganjali, M. R ; Moradi, H ; Mirsadeghi, S ; Badiei, A ; Esmaeili, A ; Rabiee, N ; Habibzadeh, S ; Koyuncu, I ; Nouranian, S ; Formela, K ; Saeb, M. R ; Sharif University of Technology
    Elsevier Ltd  2022
    Abstract
    Hyperbranched polyethyleneimine functionalized silica (PEI-SiO2) nanoparticles with considerable hydrophilicity were synthesized and incorporated into a polysulfone (PSF)/dimethylacetamide (DMA)/polyvinylpyrrolidone (PVP) membrane casting solution in five different ratios to fabricate PEI-SiO2/PSF nanocomposite membranes using nonsolvent-induced phase separation. The hydrophilic PEI-SiO2 nanoparticles were characterized by TEM, FTIR, TGA, and XPS analyses. Morphology, water contact angles, mean pore sizes, overall porosity, tensile strengths, water flux, antifouling and the dye separation performances of the PEI-SiO2/PSF membranes were also studied. The PEI-SiO2 nanoparticles were uniformly...