We present the results of a molecular simulation study of fluid mixtures, where complex diffusion
behavior has experimentally been found and offer an explanation based on the hydrodynamic and
thermodynamic components of the Fick diffusion coefficient. Special attention is paid to mixtures near
critical and demixing regions, where in many cases strong discrepancies between different
measurements of the Fick diffusion coefficients are found. Also molecular simulations are challenging
in these regions and require extensive sampling due the presence of pronounced density fluctuations.
| Identifer | oai:union.ndltd.org:DRESDEN/oai:qucosa:de:qucosa:38961 |
| Date | 30 March 2020 |
| Creators | Guevara-Carrion, Gabriela, Shevtsova, Valentina, Vrabec, Jadran |
| Source Sets | Hochschulschriftenserver (HSSS) der SLUB Dresden |
| Language | English |
| Detected Language | English |
| Type | info:eu-repo/semantics/acceptedVersion, doc-type:article, info:eu-repo/semantics/article, doc-type:Text |
| Rights | info:eu-repo/semantics/openAccess |
| Relation | urn:nbn:de:bsz:15-qucosa2-378382, 50, qucosa:37838, urn:nbn:de:bsz:15-qucosa2-378382, qucosa:37838 |
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