Publikation:

Relative resolution : A hybrid formalism for fluid mixtures

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Datum

2015

Autor:innen

Chaimovich, Aviel
Kremer, Kurt

Herausgeber:innen

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ISBN

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URI (zitierfähiger Link)
http://nbn-resolving.de/urn:nbn:de:bsz:352-2-9ynd00ix6znw4
DOI (zitierfähiger Link)
https://doi.org/10.1063/1.4929834
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Urheberrechtlich geschützt

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Open Access-Veröffentlichung
Open Access Green

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Chemie: Publikationen
Core Facility der Universität Konstanz

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Titel in einer weiteren Sprache

Publikationstyp
Zeitschriftenartikel
Publikationsstatus
Published

Erschienen in

The Journal of Chemical Physics. 2015, 143(24), 243107. ISSN 0021-9606. eISSN 1089-7690. Available under: doi: 10.1063/1.4929834

Zusammenfassung

We show here that molecular resolution is inherently hybrid in terms of relative separation. While nearest neighbors are characterized by a fine-grained (geometrically detailed) model, other neighbors are characterized by a coarse-grained (isotropically simplified) model. We notably present an analytical expression for relating the two models via energy conservation. This hybrid framework is correspondingly capable of retrieving the structural and thermal behavior of various multi-component and multi-phase fluids across state space.

Zusammenfassung in einer weiteren Sprache

Fachgebiet (DDC)
540 Chemie

Schlagwörter

Thermal models, Thermal properties, Chemical bonds, Phase segregation, Mean field theory

Konferenz

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Forschungsvorhaben

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Zitieren

ISO 690CHAIMOVICH, Aviel, Christine PETER, Kurt KREMER, 2015. Relative resolution : A hybrid formalism for fluid mixtures. In: The Journal of Chemical Physics. 2015, 143(24), 243107. ISSN 0021-9606. eISSN 1089-7690. Available under: doi: 10.1063/1.4929834
BibTex
@article{Chaimovich2015Relat-32654,
  year={2015},
  doi={10.1063/1.4929834},
  title={Relative resolution : A hybrid formalism for fluid mixtures},
  number={24},
  volume={143},
  issn={0021-9606},
  journal={The Journal of Chemical Physics},
  author={Chaimovich, Aviel and Peter, Christine and Kremer, Kurt},
  note={Article Number: 243107}
}
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