Zobrazeno 1 - 4
of 4
pro vyhledávání: '"Katrin Stöbener"'
Autor:
Martin Horsch, Hans-Joachim Bungartz, Mandes Schönherr, René Hamburger, Jadran Vrabec, Jürgen Gmehling, Philip Jäger, Wilfried Cordes, Amer Wafai, Hans Hasse, Martin Bernreuther, Shiang-Tai Lin, Colin W. Glass, Michael Schappals, Wei Lin Chen, Andreas Köster, Nikola Tchipev, Martin R. Schenk, Jürgen Rarey, Gábor Rutkai, Dirk Reith, Sandra Knauer, Robin Fingerhut, Katrin Stöbener, Philipp Neumann, Manfred Heilig, Andre Schedemann, Thorsten Köddermann, Steffen Seckler, Chieh Ming Hsieh, Kai Langenbach, Peter Klein, Simon Stephan, Stephan Werth, Marco Hülsmann, Matthias Heinen
Publikováno v:
Chemie Ingenieur Technik. 90:295-306
Der vorliegende Ubersichtsartikel berichtet uber Fortschritte in der molekularen Modellierung und Simulation mittels massiv-paralleler Hoch- und Hochstleistungsrechner (HPC). Im SkaSim-Projekt arbeiteten dazu Partner aus der HPC-Community mit Anwende
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a1b15cf579c760c4ba6762fab0ac828d
https://doi.org/10.1002/cite.201700113
https://doi.org/10.1002/cite.201700113
Publikováno v:
Fluid Phase Equilibria. 373:100-108
Molecular force fields are widely used for simulating thermodynamic properties of fluids. In developing such force fields, usually some of their parameters are adjusted to experimental data sets, which are often of different type. The adjustment is c
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c53ca38e8bafbfe4a9baacb0a97be1a1
https://doi.org/10.1016/j.fluid.2014.04.009
https://doi.org/10.1016/j.fluid.2014.04.009
The vapour–liquid equilibrium of the Mie potential, where the dispersive exponent is constant (m = 6) while the repulsive exponent n is varied between 9 and 48, is systematically investigated by molecular simulation. For systems with planar vapour
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::009a680d3e147b6c06a38120bb00d9a7
Molecular modelling and simulation of the surface tension of fluids with force fields are discussed. Twenty-nine real fluids are studied, including nitrogen, oxygen, carbon dioxide, carbon monoxide, fluorine, chlorine, bromine, iodine, ethane, ethyle
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d5535f517bbda10db98bea3363901744
https://publica.fraunhofer.de/handle/publica/239086
https://publica.fraunhofer.de/handle/publica/239086