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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
Externí odkaz:
https://ul.qucosa.de/id/qucosa%3A38961
https://ul.qucosa.de/api/qucosa%3A38961/attachment/ATT-0/
https://ul.qucosa.de/api/qucosa%3A38961/attachment/ATT-0/
It is shown that the residual entropy (entropy minus that of the ideal gas at the same temperature and density) is mostly synonymous with the independent variable of density scaling, identifying a direct link between these two approaches. The two-bod
Externí odkaz:
http://arxiv.org/abs/2205.15885
Publikováno v:
In Chemical Engineering Science 5 January 2025 301
Publikováno v:
Journal of Chemical Physics; 6/7/2024, Vol. 160 Issue 21, p1-9, 9p
Publikováno v:
Journal of Chemical Physics; 5/7/2024, Vol. 160 Issue 17, p1-19, 19p
Publikováno v:
Journal of Chemical Physics; 3/14/2024, Vol. 160 Issue 10, p1-11, 11p
The Riemann problem is one of the basic building blocks for numerical methods in computational fluid mechanics. Nonetheless, there are still open questions and gaps in theory and modelling for situations with complex thermodynamic behavior. In this s
Externí odkaz:
http://arxiv.org/abs/2005.06910
Publikováno v:
Molecular Simulation, doi: 10.1080/08927022.2019.1601191, 2019
The MolMod database is presented, which is openly accessible at http://molmod.boltzmann-zuse.de/ and contains presently intermolecular force fields for over 150 pure fluids. It was developed and is maintained by the Boltzmann-Zuse Society for Computa
Externí odkaz:
http://arxiv.org/abs/1904.05206
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