Literature DB >> 25053327

How to quantify structural anomalies in fluids?

Yu D Fomin1, V N Ryzhov1, B A Klumov2, E N Tsiok3.   

Abstract

Some fluids are known to behave anomalously. The so-called structural anomaly which means that the fluid becomes less structures under isothermal compression is among the most frequently discussed ones. Several methods for quantifying the degree of structural order are described in the literature and are used for calculating the region of structural anomaly. It is generally thought that all of the structural order determinations yield qualitatively identical results. However, no explicit comparison was made. This paper presents such a comparison for the first time. The results of some definitions are shown to contradict the intuitive notion of a fluid. On the basis of this comparison, we show that the region of structural anomaly can be most reliably determined from the behavior of the excess entropy.

Entities:  

Year:  2014        PMID: 25053327     DOI: 10.1063/1.4890211

Source DB:  PubMed          Journal:  J Chem Phys        ISSN: 0021-9606            Impact factor:   3.488


  3 in total

1.  Connection between water's dynamical and structural properties: Insights from ab initio simulations.

Authors:  Cecilia Herrero; Michela Pauletti; Gabriele Tocci; Marcella Iannuzzi; Laurent Joly
Journal:  Proc Natl Acad Sci U S A       Date:  2022-05-19       Impact factor: 12.779

2.  Phase behaviour of a continuous shouldered well model fluid. A grand canonical Monte Carlo study.

Authors:  Miha Lukšič; Barbara Hribar-Lee; Orest Pizio
Journal:  J Mol Liq       Date:  2016-10-08       Impact factor: 6.165

3.  Relationship between structural order and water-like anomalies in metastable liquid silicon: Ab initio molecular dynamics.

Authors:  G Zhao; J L Yan; Y J Yu; M C Ding; X G Zhao; H Y Wang
Journal:  Sci Rep       Date:  2017-01-05       Impact factor: 4.379

  3 in total

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