Nichele, JaklerBorges Júnior, ItamarOliveira, Alan Barros deAlves, Leonardo Santos de Brito2016-10-052016-10-052016NICHELE, J. et al. Molecular dynamics simulations of momentum and thermal diffusion properties of near-critical argon along isobars. The Journal of Supercritical Fluids, v. 114, p. 46, 2016. Disponível em: <http://www.sciencedirect.com/science/article/pii/S089684461630078X>. Acesso em: 07 ago. 2016.0896-8446http://www.repositorio.ufop.br/handle/123456789/7022Three 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.en-USabertoShear viscosityBulk viscosityThermal conductivityEquilibrium molecular dynamicsStokes hypothesisArtigo publicado em periodicoO periódico The Journal of Supercritical Fluids concede permissão para depósito deste artigo no Repositório Institucional da UFOP. Número da licença: 3934300820506.https://doi.org/10.1016/j.supflu.2016.04.004