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pro vyhledávání: '"Joshua Marx"'
Publikováno v:
Molecular Physics. 120
Publikováno v:
Fluid Phase Equilibria. 568:113742
Different perturbation theories for the relative permittivity of dipolar model fluids are assessed by comparison to a comprehensive set of molecular dynamics (MD) simulation data for Stockmayer fluids. With the exception of dense liquids, all MD data
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::602fa64abbe050381a6ff2081a9f5ee1
https://doi.org/10.31219/osf.io/yqfb4
https://doi.org/10.31219/osf.io/yqfb4
The relative permittivity is a property that depends on the orientation structure of a fluid. Thus, using state-of-the-art equations of state it can be modeled only when using high level techniques, such as nonprimitive models. This is a drawback, es
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::55cd613894ceeb4a8e99d97ec45e37df
https://doi.org/10.31219/osf.io/kt9xm
https://doi.org/10.31219/osf.io/kt9xm
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