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

• Autor(a) principal: Nichele, Jakler
• Data de Publicação: 2016
• Outros Autores: Borges Júnior, Itamar, Oliveira, Alan Barros de, Alves, Leonardo Santos de Brito
• Tipo de documento: Artigo
• Idioma: eng
• Título da fonte: Repositório Institucional da UFOP
• Texto Completo: http://www.repositorio.ufop.br/handle/123456789/7022; https://doi.org/10.1016/j.supflu.2016.04.004
• topic: 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 1.0Pc and 1.2Pc 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.