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International Journal for Multiscale Computational Engineering

Publicou 6 edições por ano

ISSN Imprimir: 1543-1649

ISSN On-line: 1940-4352

The Impact Factor measures the average number of citations received in a particular year by papers published in the journal during the two preceding years. 2017 Journal Citation Reports (Clarivate Analytics, 2018) IF: 1.4 To calculate the five year Impact Factor, citations are counted in 2017 to the previous five years and divided by the source items published in the previous five years. 2017 Journal Citation Reports (Clarivate Analytics, 2018) 5-Year IF: 1.3 The Immediacy Index is the average number of times an article is cited in the year it is published. The journal Immediacy Index indicates how quickly articles in a journal are cited. Immediacy Index: 2.2 The Eigenfactor score, developed by Jevin West and Carl Bergstrom at the University of Washington, is a rating of the total importance of a scientific journal. Journals are rated according to the number of incoming citations, with citations from highly ranked journals weighted to make a larger contribution to the eigenfactor than those from poorly ranked journals. Eigenfactor: 0.00034 The Journal Citation Indicator (JCI) is a single measurement of the field-normalized citation impact of journals in the Web of Science Core Collection across disciplines. The key words here are that the metric is normalized and cross-disciplinary. JCI: 0.46 SJR: 0.333 SNIP: 0.606 CiteScore™:: 3.1 H-Index: 31

Indexed in

Comparison of CH4 and 2 Transport Through Opened Carbon Nanotubes: Predictions from Molecular Dynamics Simulations

Volume 3, Edição 3, 2005, pp. 379-391
DOI: 10.1615/IntJMultCompEng.v3.i3.80
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RESUMO

Computational studies of the properties of molecules confined in nanoporous materials have been undertaken by many research groups to predict their behavior for such applications as molecular sieves and hydrogen storage. Carbon nanotubes have especially high potential to be used for environmental and pharmaceutical applications because of their uniform, cylindrical channel structures and propensity to close-pack into ordered arrays. This paper summarizes the results of classical, nonequilibrium molecular dynamics simulations that are used to predict the dynamic transport behavior of methane and oxygen molecules through opened, single-walled carbon nanotubes. Empirical potentials are used to calculate the forces in the simulations. For nanotubes with diameters below about 20 Å, the gas molecules move via normal-mode, single-file, and superdiffusion modes depending on the properties of the nanotubes. Within individual nanotubes, molecular transport can transition from one diffusion mode to another and the mass transport system changes from nonequilibrium to near equilibrium behavior over the course of the simulations.

CITADO POR
  1. Kim Sangil, Chen Liang, Johnson J. Karl, Marand Eva, Polysulfone and functionalized carbon nanotube mixed matrix membranes for gas separation: Theory and experiment, Journal of Membrane Science, 294, 1-2, 2007. Crossref

  2. Sinnott Susan B., Aluru Narayan R., Carbon nanotubes as nanoelectromechanical systems components, in Carbon Nanotechnology, 2006. Crossref

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