Relative resolution : A hybrid formalism for fluid mixtures
Relative resolution : A hybrid formalism for fluid mixtures
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2015
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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.
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540 Chemistry
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Thermal models, Thermal properties, Chemical bonds, Phase segregation, Mean field theory
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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: 10.1063/1.4929834BibTex
@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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