Open Access. Powered by Scholars. Published by Universities.®

Physics Commons

Open Access. Powered by Scholars. Published by Universities.®

Chemical Engineering

Theses/Dissertations

Molecular dynamics

Articles 1 - 2 of 2

Full-Text Articles in Physics

Transport Of Water And Ions Through Single-Walled Armchair Carbon Nanotubes: A Molecular Dynamics Study, Michelle Patricia Aranha Dec 2017

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 …


A Rapidly-Converging Alternative To Source Iteration For Solving The Discrete Ordinates Radiation Transport Equations In Slab Geometry, Nicholas J. Wager Mar 2004

A Rapidly-Converging Alternative To Source Iteration For Solving The Discrete Ordinates Radiation Transport Equations In Slab Geometry, Nicholas J. Wager

Theses and Dissertations

I present a numerical technique to solve the time independent Boltzmann Transport Equation for the transport of neutrons and photons. The technique efficiently solves the discrete ordinates equations with a new iteration scheme. I call this new scheme the angle space distribution iteration method because it combines a non-linear, high angular-resolution flux approximation within individual spatial cells with a coarse angular-resolution flux approximation that couples all cells in a spatial mesh. This shown to be an efficient alternative to source iteration. The new method is implemented using the step characteristic and exponential characteristic spatial quadrature schemes. The latter was introduced …