Relative resolution : A hybrid formalism for fluid mixtures

Chaimovich, Aviel; Peter, Christine; Kremer, Kurt

Relative resolution : A hybrid formalism for fluid mixtures

Files

Chaimovich_2-9ynd00ix6znw4.pdf(391.31 KB)

Date

2015

Authors

Chaimovich, Aviel

Peter, Christine

Kremer, Kurt

Publication type

Journal article

Publication status

Published

Published in

The Journal of Chemical Physics ; 143 (2015), 24. - 243107. - ISSN 0021-9606. - eISSN 1089-7690

Abstract

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.

Subject (DDC)

540 Chemistry

Keywords

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

Cite This

ISO 690

CHAIMOVICH, Aviel, Christine PETER, Kurt KREMER, 2015. Relative resolution : A hybrid formalism for fluid mixtures. In: The Journal of Chemical Physics. 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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Bibliography of Konstanz

Yes