Molecular simulation of transport through ordered porous channels

• Main Author: Chye, Joseph Chee Siong.
• Other Authors: Kwak Sang Kyu
• Format: Final Year Project
• Language: English
• Published: 2010
• Subjects: DRNTU::Engineering::Nanotechnology
• Online Access: http://hdl.handle.net/10356/39410
• Institution: Nanyang Technological University

In this project, we have simulated the diffusion of a hard sphere fluid inside carbon nanotubes (CNT) of armchair and zig-zag configurations to investigate the transport properties in CNTs. Simulations were carried out using java-based modules that run on deterministic Molecular Dynamics (MD) to det...