Analytical representations of regular-shaped nanostructures for gas storage applications

Wei Xian Lim, Aaron W. Thornton

Abstract


Nanospace governs the dynamics of physical, chemical, material and biological systems, and the facility to model it with analytical formulae provides an essential tool to address some of the worlds’ key problems such as gas purification, separation and storage. This paper aims to provide some analytical models to exploit building blocks representing various geometric shapes that describe nanostructures. In order to formulate the various building blocks, we use the continuous approximation which assumes a uniform distribution of atoms on their surfaces. We then calculate the potential energy of the van der Waals interaction between an atom and the structure to evaluate the location of the atom where the potential energy is at its minimum. We provide applications of the analytical models for some real structures where more than one type of building block is required.

doi:10.1017/S1446181115000152

Keywords


gas storage; potential energy; van der Waals potential; nanostructures; building blocks



DOI: http://dx.doi.org/10.21914/anziamj.v57i0.5526



Remember, for most actions you have to record/upload into this online system
and then inform the editor/author via clicking on an email icon or Completion button.
ANZIAM Journal, ISSN 1446-8735, copyright Australian Mathematical Society.