Nanoscience and Nanotechnology Commons^™

Transport Of Water And Ions Through Single-Walled Armchair Carbon Nanotubes: A Molecular Dynamics Study, Michelle Patricia Aranha

Doctoral Dissertations

The narrow hydrophobic interior of a carbon nanotube (CNT) poses a barrier to the transport of water and ions, and yet, unexpectedly, numerous experimental and simulation studies have confirmed fast water transport rates comparable to those seen in biological aquaporin channels. These outstanding features of high water permeability and high solute rejection of even dissolved ions that would typically require a lot of energy for separation in commercial processes makes carbon nanotubes an exciting candidate for desalination membranes. Extending ion exclusion beyond simple mechanical sieving by the inclusion of electrostatics via added functionality to the nanotube bears promise to not …

Mechanical Characterization Of Polymer Concrete With Nanomaterials, Alaeddin Douba

Civil Engineering ETDs

Nanomaterials are defined by those whose characteristic length scale lies within the nanometer scale. Their extreme dimension achieves extraordinary mechanical properties superior to other micro and macro additives. The introduction of nanotechnology to Civil Engineering utilizes low volume inclusions of nanomaterials to alter the properties of conventionally used bulk materials. Polymer Concrete (PC) where epoxy polymer binders replace cement binders, has become a common repair material among many other application and often can be considered an alternative to Portland cement concrete (PCC). PC is often used in bridge deck overlays, manholes, machine foundations and repairs. Its diverse chemical composition and …

Molecular Modeling Of Aerospace Polymer Matrices Including Carbon Nanotube-Enhanced Epoxy, Matthew Radue

Dissertations, Master's Theses and Master's Reports

Carbon fiber (CF) composites are increasingly replacing metals used in major structural parts of aircraft, spacecraft, and automobiles. The current limitations of carbon fiber composites are addressed through computational material design by modeling the salient aerospace matrix materials. Molecular Dynamics (MD) models of epoxies with and without carbon nanotube (CNT) reinforcement and models of pure bismaleimides (BMIs) were developed to elucidate structure-property relationships for improved selection and tailoring of matrices.

The influence of monomer functionality on the mechanical properties of epoxies is studied using the Reax Force Field (ReaxFF). From deformation simulations, the Young’s modulus, yield point, and Poisson’s ratio …