The Vibrational Contribution to the Thermal Conductivity of a Polyatomic Fluid
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.
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 http://dx.doi.org/10.1080/00268976.2010.489520
Mechanical and Aerospace Engineering
Keywords and Phrases
Molecular Dynamics; Thermal Conductivity; Vibrational Contribution
Article - Journal
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