Molecular dynamics simulations of momentum and thermal diffusion properties of near-critical argon along isobars

作者：Nichele Jakler; Borges Itamar Jr; Oliveira Alan B; Alves Leonardo S^*

来源：Journal of Supercritical Fluids, 2016, 114: 46-54.

DOI：10.1016/j.supflu.2016.04.004

• Shear viscosity
• Bulk viscosity
• Thermal conductivity
• Equilibrium molecular dynamics
• Stokes hypothesis

Three basic diffusion properties of argon - shear viscosity, bulk viscosity and thermal conductivity - were studied in the neighborhood of the critical point using molecular dynamics (MD) and the Lennard-Jones potential energy function. MD simulations were performed along the 1.0P(c), and 1.2P(c) isobars. Green-Kubo relations and a Lennard-Jones pair potential were used. Four different sets of Lennard-Jones parameters were used. A comparison of computed shear viscosity and thermal conductivity values with data available from the National Institute of Standards and Technology (NIST) displayed a good agreement. Results for bulk viscosity indicated that values of this property cannot be neglected in this thermodynamic region, a result that violates the traditional and much-assumed Stokes hypothesis in classical fluid mechanics. Furthermore, it was shown that in the neighborhood of the critical region the bulk viscosity can have larger values than the shear viscosity.

• 出版日期2016-8