Please use this identifier to cite or link to this item: http://repositorio.unicamp.br/jspui/handle/REPOSIP/346027
Type: Artigo
Title: Surface and confinement effects on the self-diffusion coefficients for methane-ethane mixtures within calcite nanopores
Author: Spera, Marcelle Bruna de Mendonça
Franco, Luís Fernando Mercier
Abstract: The study of transport properties of unconventional oil reservoirs such as shale gas is crucial to optimize production, enhance oil extraction, and decrease costs and environmental hazards. One important dynamical property of fluids is diffusion, which is necessary to determine the oil mobility and rate of oil production from the reservoir, and can be obtained through the self-diffusion coefficient. To obtain the transport properties of fluids under confinement, one must take into account the surface and the confinement effects. Moreover, approaches that consider the position-dependency and the nonlinear particle distribution are required. Applying methods based on probability density function, the self-diffusion components of methane-ethane mixtures confined within calcite nanopores were calculated, using molecular dynamics simulations. The anisotropy between , , and components of the self-diffusion tensor has different effects depending on the position inside the nanopore. A surface effect causes an anisotropic behavior between parallel self-diffusion coefficients for this mixture close to the calcite walls. And at the center of the pore, the confinement effect is manifested by lowering the value of the perpendicular self-diffusion coefficient when compared to the parallel ones. Mixture composition plays an important role, since a higher ethane content shows greater anisotropy between parallel components
Subject: Dinâmica molecular
Country: Países Baixos
Editor: Elsevier
Rights: Fechado (Editor)
Aberto (Preprint)
Identifier DOI: 10.1016/j.fluid.2020.112740
Address: https://www.sciencedirect.com/science/article/pii/S0378381220302879
Date Issue: 2020
Appears in Collections:FEQ - Artigos e Outros Documentos

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