Molecular dynamics simulations of water transport through carbon nanotubes

• Main Author: Wong, Zhi Hao.
• Other Authors: Jim Chen Chin-Kuang
• Format: Final Year Project
• Language: English
• Published: 2009
• Subjects: DRNTU::Engineering::Environmental engineering::Water treatment
• Online Access: http://hdl.handle.net/10356/16331
• Institution: Nanyang Technological University

There are many research papers which focus on the working mechanism which drives water through carbon nanotubes (CNTs). For instance, there are researches conducted on hydrogen bonds and diffusive coefficient has on the flow of water in CNTs. All of these researches are closely linked to the properties of water. With a better understanding on the properties of water, the flow of water through CNTs can then be closely studied by manipulating these properties. This is where the difference lies for this report. This report will be focusing on the properties of CNTs instead. The properties of CNTs, namely the electric charges and van der Waals forces will be studied in greater details. Results obtained from the simulations will be discussed and investigated to determine the effects on the flow of water through CNTs under the influence of these 2 properties.