3D simulation of hard spheres in thermal boundary

• Main Author: Ang, Han Wee
• Other Authors: Kwak Sang Kyu
• Format: Final Year Project
• Language: English
• Published: 2009
• Subjects: DRNTU::Engineering::Chemical engineering
• Online Access: http://hdl.handle.net/10356/16427
• Institution: Nanyang Technological University

In this work, we designed a three-dimensional simulation module that enables users to predict the thermo-physical properties of a fluid system bounded by thermal planes. The simulation program, written in object-oriented programming language, Java, allows the viewing of actual atomistic movement real-time, based on the deterministic Molecular Dynamics simulation method. The results of the simulations were compared to predictions from theoretical formalism. For a good theoretical tractability, the hardsphere model was adopted. The developed module aims to serve as a computational tool for undergraduate students and practitioners in chemical engineering fields to better understand heat transfer effects in confinement, as heat transfer in micro- and nanochannels gain increasing relevance and importance in the industry. Investigation on atomic behavior was done with respect to variation of temperature of confining planes and the number density of the atoms in the system.