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Article
The Vibrational Contribution to the Thermal Conductivity of a Polyatomic Fluid
Molecular Physics
  • Z. Liang
  • Hai-Lung Tsai, Missouri University of Science and Technology
Abstract

A simple analytical expression is proposed in this article to calculate the vibrational contribution to the thermal conductivity of a polyatomic fluid. The analytic expression was obtained based on the assumption that the self-diffusion process is the major mechanism in the transport of vibrational energy. The proposed expression is validated by comparing the thermal conductivity of CO₂ calculated by molecular dynamics (MD) simulations to experimental data over a wide range of temperature and pressure. It is also demonstrated that the proposed analytic expression greatly increases the accuracy of calculated thermal conductivity for CO₂ at the supercritical state. © 2010 Taylor & Francis.

Department(s)
Mechanical and Aerospace Engineering
Keywords and Phrases
  • Molecular Dynamics,
  • Thermal Conductivity,
  • Vibrational Contribution
Document Type
Article - Journal
Document Version
Citation
File Type
text
Language(s)
English
Rights
© 2010 Taylor & Francis, All rights reserved.
Publication Date
1-1-2010
Publication Date
01 Jan 2010
Citation Information
Z. Liang and Hai-Lung Tsai. "The Vibrational Contribution to the Thermal Conductivity of a Polyatomic Fluid" Molecular Physics (2010) ISSN: 0026-8976
Available at: http://works.bepress.com/hai-lung-tsai/194/