Relative resolution : A hybrid formalism for fluid mixtures

Chaimovich, Aviel; Peter, Christine; Kremer, Kurt

Relative resolution : A hybrid formalism for fluid mixtures

Dateien

Chaimovich_2-9ynd00ix6znw4.pdfGröße: 391.31 KBDownloads: 69

Datum

2015

Autor:innen

Chaimovich, Aviel

Peter, Christine

Kremer, Kurt

Open Access-Veröffentlichung

Open Access Green

Sammlungen

Chemie

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.

Fachgebiet (DDC)

540 Chemie

Schlagwörter

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

Zitieren

ISO 690

CHAIMOVICH, 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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Universitätsbibliographie

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