The Vibrational Contribution to the Thermal Conductivity of a Polyatomic Fluid

Author

Z. Liang
Hai-Lung Tsai, Missouri University of Science and TechnologyFollow

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.

Recommended Citation

Z. Liang and H. Tsai, "The Vibrational Contribution to the Thermal Conductivity of a Polyatomic Fluid," Molecular Physics, Taylor & Francis, Jan 2010.

The definitive version is available at https://doi.org/10.1080/00268976.2010.489520

Department(s)

Mechanical and Aerospace Engineering

Keywords and Phrases

Molecular Dynamics; Thermal Conductivity; Vibrational Contribution

International Standard Serial Number (ISSN)

0026-8976

Document Type

Article - Journal

Document Version

Citation

File Type

text

Language(s)

English

Rights

© 2010 Taylor & Francis, All rights reserved.

Publication Date

01 Jan 2010