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Self Diffusivity of n-Dodecane and Benzothiophene in ZSM-5 Zeolites: Its Significance for a New Catalytic Light Diesel Desulfurization Process
(Berkeley Electronic Press, 2016-06-13)
This study provides theoretical support to a recent promising ZSM5 catalyst used for the selective desulfurization of light diesel type compounds (Al-Bogami and de Lasa 2013; Al-Bogami, Moreira, and de Lasa 2013). With ...
Superficial self-diffusion coefficient in Ih-ICE
(Masaryk University, 2020-07)
The evolution of the grain boundary groove in a bicrystalline ice sample was studied in this work. The groove is formed by the intersection of the grain boundary with the free surface. The bicrystalline ice sample had an ...
Uranium diffusion in metals used in nuclear facilities - A new approach
(Trans Tech Publications, 2017-06)
Diffusion at infinite dilution of U in metals, with particular emphasis in those used in nuclear facilities, is revisited. Early works present some particularities such as activation enthalpies lower than the vacancy ...
Diffusion in thorium carbide: A first-principles study
(Elsevier Science, 2015-12)
The prediction of the behavior of Th compounds under irradiation is an important issue for the upcoming Generation-IV nuclear reactors. The study of self-diffusion and hetero-diffusion is a central key to fulfill this goal. ...
Cation self-diffusion of 44 Ca, 88 Y, and 96 Zr in single-crystalline calcia- and yttria-doped zirconia
(American Institute of Physics, 2003-12)
Self-diffusion of calcium, yttrium, and zirconium in single-crystalline yttria-stabilized zirconia (YSZ) and calcia-stabilized zirconia (CSZ) was investigated. The stable isotopes 44 Ca and 96 Zr were used as tracers for ...
A full-atom multiscale modelling for sodium chloride diffusion in anion exchange membranes
(Elsevier Science, 2021-11)
A novel full-atom multiscale method, combining different computational approaches and aimed to describe diffusion of multiple ions in anion exchange membranes (AEM), is presented. The method is used to evaluate diffusion ...
Non-stochastic behavior of atomic surface diffusion at all temperatures
(American Physical Society, 2004-12)
Atomic diffusion is usually understood as a succession of random, independent displacements of an adatom over the surface's potential energy landscape. Nevertheless, an analysis of molecular dynamics simulations of ...
Modeling water uptake in a cereal grain during soaking
(Elsevier, 2010-03)
A diffusion equation to describe the isothermal absorption of liquid water in a spherical solid that undergoes uniform swelling was derived. The resulting partial differential equation was solved using a finite difference ...