Relative resolution : A hybrid formalism for fluid mixtures

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2015
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Chaimovich, Aviel
Kremer, Kurt
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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
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Thermal models, Thermal properties, Chemical bonds, Phase segregation, Mean field theory
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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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