Non-equilibrium thermal transport simulation of conical carbon nanofibers

Thermal non-equilibrium transport in colloids

Role of Interatomic Potentials in Simulation of Thermal Transport in Carbon Nanotubes

Interatomic potentials, which describe interactions between elements of nanosystems, are crucial in theoretical study of their physical properties. We focus on two well known empirical potentials, i.e. Tersoff's and Brenner's potentials, and compare their performance in calculation of thermal transport in carbon nanotubes. In this way, we study the temperature and diameter dependence of thermal...

Thermal conductivity of individual carbon nanofibers

In the present paper, we present results of thermal conductivity measurements in commercially-available, chemical vapor deposition grown, heat-treated and non-heat-treated individual carbon nanofibers (CNFs). The thermal conductivity measurements are made using the T-type probe experimental configuration using a Wollaston wire probe inside a high resolution scanning electron microscope. The res...

Computational Studies of Non-Equilibrium Molecular Transport through Carbon Nanotubes

The transport of methane molecules into several open-ended carbon nanotubes is studied with classical, nonequilibrium molecular dynamics simulations. The forces in the simulations are determined using a reactive empirical bond order potential for short-ranged interactions and a Lennard-Jones potential for long-range interactions. The simulations show that until the carbon nanotubes are filled w...

Non-Equilibrium Transport

Suppose we flow through an adsorption or chromatograph column so fast that the adsorption is not at equilibrium at a given point in the column. This departure from equilibrium could be either due to diffusion resistance within the porous particles of the column or due to kinetic limitation of the adsorption process. Alternatively, you may wish to separate different size macromolecules by the di...