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Molecular dynamics (MD) simulation and modeling of diffusion in fluids and porous materials

In this workshop we will discuss some fundamentals of equilibrium and non-equilibrium
thermodynamics, in particular how concentration gradients are formed due to the Soret effect. At first
we will pay attention to the analysis of fluctuations at macroscopic thermodynamic equilibrium for the
determination of the Fick diffusion coefficient and the thermal diffusivity. Then, starting with the
extended diffusion equation, we will derive solutions for the concentration field under common
experimental geometries and introduce modern optical techniques for the measurement of the Fick
diffusion, thermodiffusion and Soret coefficients.

Identiferoai:union.ndltd.org:DRESDEN/oai:qucosa:de:qucosa:38068
Date30 January 2020
CreatorsKoller, Thomas M., Tallarek, Ulrich
Source SetsHochschulschriftenserver (HSSS) der SLUB Dresden
LanguageEnglish
Detected LanguageEnglish
Typeinfo:eu-repo/semantics/acceptedVersion, doc-type:article, info:eu-repo/semantics/article, doc-type:Text
Rightsinfo:eu-repo/semantics/openAccess
Relation17, urn:nbn:de:bsz:15-qucosa2-378382, qucosa:37838

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