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Título: | Molecular dynamics simulations of momentum and thermal diffusion properties of near-critical argon along isobars. |
Autor(es): | Nichele, Jakler Borges Júnior, Itamar Oliveira, Alan Barros de Alves, Leonardo Santos de Brito |
Palavras-chave: | Shear viscosity Bulk viscosity Thermal conductivity Equilibrium molecular dynamics Stokes hypothesis |
Data do documento: | 2016 |
Referência: | 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. |
Resumo: | 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. |
URI: | http://www.repositorio.ufop.br/handle/123456789/7022 |
DOI: | https://doi.org/10.1016/j.supflu.2016.04.004 |
ISSN: | 0896-8446 |
Licença: | O periódico The Journal of Supercritical Fluids concede permissão para depósito deste artigo no Repositório Institucional da UFOP. Número da licença: 3934300820506. |
Aparece nas coleções: | DEFIS - Artigos publicados em periódicos |
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ARTIGO_MolecularDynamicsSimulation.pdf | 1,22 MB | Adobe PDF | Visualizar/Abrir |
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