Molecular Simulation of Adsorption of Surface-Modified Silica Nanoparticles at Liquid-Liquid Interfaces, M.Sc. Thesis Sharif University of Technology ; Mohammadi, Ali Asghar (Supervisor)
Abstract
With rising oil prices and predictions about the future of hydrocarbon reserves, issues of enhanced oil recovery and optimal production of existing reservoirs are of particular importance. In this study, molecular dynamics simulation was used to study the absorption of silica nanoparticles with surface groups at the interface of water and decane. The effect of surface chemistry of silica nanoparticles on the interface properties of water-decane with changing the surface groups was simulated. The initial surface factor of nanoparticle is hydroxyl (OH), which is called a hydrophilic surface agent. Nanoparticles were modified by methyl and ethyl surface agents to increase the hydrophobicity and...
Cataloging briefMolecular Simulation of Adsorption of Surface-Modified Silica Nanoparticles at Liquid-Liquid Interfaces, M.Sc. Thesis Sharif University of Technology ; Mohammadi, Ali Asghar (Supervisor)
Abstract
With rising oil prices and predictions about the future of hydrocarbon reserves, issues of enhanced oil recovery and optimal production of existing reservoirs are of particular importance. In this study, molecular dynamics simulation was used to study the absorption of silica nanoparticles with surface groups at the interface of water and decane. The effect of surface chemistry of silica nanoparticles on the interface properties of water-decane with changing the surface groups was simulated. The initial surface factor of nanoparticle is hydroxyl (OH), which is called a hydrophilic surface agent. Nanoparticles were modified by methyl and ethyl surface agents to increase the hydrophobicity and...
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