Diffusion Fundamentals (E-Journal)
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Solute sorption, diffusion, and advection in macro–mesoporous materials: Toward a realistic bottom-up simulation strategy
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Local Atomic Mechanism for the Diffusion Jump of Carbon Atom in Austenite
Get PDFA carbon atom diffusion jump in iron austenite was considered as a subsequence of transformations between the cementite structure and the regular FCC packing. A model of this transformation was based on a 2D model of the elemental act of a polymorph transformation in metals. The energy threshold of this transformation has been calculated using the Morse pair potential. It occurs that the estimated enthalpy of the transformation is equal to 149±20 kJ/mole which is in satisfactory agreement with experimental data
Calculation of parameters of Heine and Abarenkov model potential for bcc crystals
Get PDFParameters of Heine and Abarenkov model potential (HAP) have been computed in thi
Diffusion in Nanoporous Materials: Challenges, Surprises and Tasks of the Day
Get PDFDiffusion is an omnipresent, most fundamental phenomenon in nature and thus critical for the performance of numerous technologies. This is in particular true for nanoporous materials with manifold applications for matter upgrading by separation, purification and conversion. The path lengths of molecular transportation within the industrial plants range from the elementary steps of diffusion within the micropores of the individual particles up to the matter flow over macroscopic distances. Each of them might be decisive in determining overall performance so that detailed knowledge of all modes of mass transfer is crucial for a knowledge-based optimization of the devices with reference to their transport properties. The rate of mass transfer is particularly complicated to be assessed within the individual (adsorbent) particles/crystallites with pore sizes of the order of molecular dimensions. We are going to present two powerful techniques exactly for this application, operating under both equilibrium (Pulsed Field Gradient (PFG) NMR) and non-equilibrium (Microimaging by interference microscopy and IR microscopy) conditions. The potentials of these techniques are demonstrated in a few showcases, notably including the options of transport enhancement in pore hierarchies. The contribution concludes with a survey on present activities within an IUPAC initiative aiming at the elaboration of “guidelines for measurements and reporting of diffusion properties of chemical compounds in nanoporous materials
