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

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MetadadosDescriçãoIdioma
Autor(es): dc.creatorNichele, Jakler-
Autor(es): dc.creatorBorges Júnior, Itamar-
Autor(es): dc.creatorOliveira, Alan Barros de-
Autor(es): dc.creatorAlves, Leonardo Santos de Brito-
Data de aceite: dc.date.accessioned2025-08-21T15:23:00Z-
Data de disponibilização: dc.date.available2025-08-21T15:23:00Z-
Data de envio: dc.date.issued2016-10-05-
Data de envio: dc.date.issued2016-10-05-
Data de envio: dc.date.issued2016-
Fonte completa do material: dc.identifierhttp://www.repositorio.ufop.br/handle/123456789/7022-
Fonte completa do material: dc.identifierhttps://doi.org/10.1016/j.supflu.2016.04.004-
Fonte: dc.identifier.urihttp://educapes.capes.gov.br/handle/capes/1012671-
Descrição: dc.descriptionThree 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.-
Formato: dc.formatapplication/pdf-
Idioma: dc.languageen-
Direitos: dc.rightsaberto-
Direitos: dc.rightsO periódico The Journal of Supercritical Fluids concede permissão para depósito deste artigo no Repositório Institucional da UFOP. Número da licença: 3934300820506.-
Palavras-chave: dc.subjectShear viscosity-
Palavras-chave: dc.subjectBulk viscosity-
Palavras-chave: dc.subjectThermal conductivity-
Palavras-chave: dc.subjectEquilibrium molecular dynamics-
Palavras-chave: dc.subjectStokes hypothesis-
Título: dc.titleMolecular dynamics simulations of momentum and thermal diffusion properties of near-critical argon along isobars.-
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