Zobrazeno 1 - 4
of 4
pro vyhledávání: '"Isabel Nitzke"'
Publikováno v:
Molecular Simulation. 48:73-86
Long range corrections for molecular simulations of inhomogeneous fluids with a spherical interface are presented. Correction terms for potential energy, force and virial are derived for the monatomic Lennard–Jones fluid. The method is generalised
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f09e08b4c5ee2985c203fb2a8c94d683
https://doi.org/10.1080/08927022.2021.1954639
https://doi.org/10.1080/08927022.2021.1954639
Publikováno v:
Molecular Physics. 120
The potential function suggested by Tang and Toennies is parametrised to represent the thermodynamic properties of argon. The fit of its parameters is carried out on the basis of different data obtained by molecular dynamics simulation and integratio
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0feb1138a2de3155d01e1982813f6cd8
https://doi.org/10.1080/00268976.2022.2078240
https://doi.org/10.1080/00268976.2022.2078240
Publikováno v:
Physics of Fluids. 35:032117
Vapor–liquid equilibria and fluid interface properties of binary mixtures containing either methane or cyclohexane representing fuel and nitrogen or oxygen are reported. The mixtures are studied at different temperatures and pressures, which are ch
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::63bae55e071394461dd03e29968ab4e6
https://doi.org/10.1063/5.0138973
https://doi.org/10.1063/5.0138973
Autor:
Robin Fingerhut, Gabriela Guevara-Carrion, Isabel Nitzke, Denis Saric, Joshua Marx, Kai Langenbach, Sergei Prokopev, David Celný, Martin Bernreuther, Simon Stephan, Maximilian Kohns, Hans Hasse, Jadran Vrabec
A new version release (4.0) of the molecular simulation tool ms2 (Deublein et al. 2011; Glass et al. 2014; Rutkai et al. 2017) is presented. Version 4.0 of ms2 features two additional potential functions to address the repulsive and dispersive intera
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::aae880c4f2700b7454cd2448efcfd509
https://depositonce.tu-berlin.de/handle/11303/12917
https://depositonce.tu-berlin.de/handle/11303/12917
