Molecular dynamics simulations of momentum and thermal diffusion properties of near-critical argon along isobars.
dc.contributor.author | Nichele, Jakler | |
dc.contributor.author | Borges Júnior, Itamar | |
dc.contributor.author | Oliveira, Alan Barros de | |
dc.contributor.author | Alves, Leonardo Santos de Brito | |
dc.date.accessioned | 2016-10-05T14:15:58Z | |
dc.date.available | 2016-10-05T14:15:58Z | |
dc.date.issued | 2016 | |
dc.description.abstract | 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. | pt_BR |
dc.identifier.citation | NICHELE, 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. | pt_BR |
dc.identifier.doi | https://doi.org/10.1016/j.supflu.2016.04.004 | |
dc.identifier.issn | 0896-8446 | |
dc.identifier.uri | http://www.repositorio.ufop.br/handle/123456789/7022 | |
dc.language.iso | en_US | pt_BR |
dc.rights | aberto | pt_BR |
dc.rights.license | O periódico The Journal of Supercritical Fluids concede permissão para depósito deste artigo no Repositório Institucional da UFOP. Número da licença: 3934300820506. | pt_BR |
dc.subject | Shear viscosity | pt_BR |
dc.subject | Bulk viscosity | pt_BR |
dc.subject | Thermal conductivity | pt_BR |
dc.subject | Equilibrium molecular dynamics | pt_BR |
dc.subject | Stokes hypothesis | pt_BR |
dc.title | Molecular dynamics simulations of momentum and thermal diffusion properties of near-critical argon along isobars. | pt_BR |
dc.type | Artigo publicado em periodico | pt_BR |
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