Artur D. Nasyrov, Egor V. Yakovlev, Ivan A. Kushnir, Alina R. Karimova, Stanislav O. Yurchenko, Nikita P. Kryuchkov
{"title":"Experimental validation of correlation peak universality in classical fluids","authors":"Artur D. Nasyrov, Egor V. Yakovlev, Ivan A. Kushnir, Alina R. Karimova, Stanislav O. Yurchenko, Nikita P. Kryuchkov","doi":"10.1016/j.molliq.2025.127241","DOIUrl":null,"url":null,"abstract":"<div><div>The radial distribution function (RDF) in condensed matter provides a key link between structural and thermodynamic properties. A recently developed fluid interpolation method allows the reconstruction of the RDF over a wide temperature range in fluids. This method is based on the observed “universality” of the correlation peaks in the pair correlation function <span><math><mi>g</mi><mo>(</mo><mi>r</mi><mo>)</mo></math></span>, which holds despite variations in density, temperature, interparticle potentials and system types - from ideal gases to complex biological fluid-like systems. However, so far this universality has only been identified by computer simulations for two-dimensional systems and has not been experimentally validated. This work is dedicated to a more comprehensive analysis of this ‘universality’, including experiments on colloidal suspensions with tunable interactions in external rotating electric fields and 3D systems such Lennard-Jones fluid, and fluid state of Hg and Fe. In particular, we found that the peak norms, their mean values and dispersion show identical behaviour, while differences between peaks are mainly due to non-Gaussian parameters. Furthermore, the obtained dependencies reveal a clear transition between the crystal- and gas-like correlation regimes at close and far distances, suggesting that our approach may provide a new way to analyse fluids of different nature, from atomic and molecular to protein and colloidal systems.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"426 ","pages":"Article 127241"},"PeriodicalIF":5.3000,"publicationDate":"2025-03-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Molecular Liquids","FirstCategoryId":"92","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0167732225004088","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
引用次数: 0
Abstract
The radial distribution function (RDF) in condensed matter provides a key link between structural and thermodynamic properties. A recently developed fluid interpolation method allows the reconstruction of the RDF over a wide temperature range in fluids. This method is based on the observed “universality” of the correlation peaks in the pair correlation function , which holds despite variations in density, temperature, interparticle potentials and system types - from ideal gases to complex biological fluid-like systems. However, so far this universality has only been identified by computer simulations for two-dimensional systems and has not been experimentally validated. This work is dedicated to a more comprehensive analysis of this ‘universality’, including experiments on colloidal suspensions with tunable interactions in external rotating electric fields and 3D systems such Lennard-Jones fluid, and fluid state of Hg and Fe. In particular, we found that the peak norms, their mean values and dispersion show identical behaviour, while differences between peaks are mainly due to non-Gaussian parameters. Furthermore, the obtained dependencies reveal a clear transition between the crystal- and gas-like correlation regimes at close and far distances, suggesting that our approach may provide a new way to analyse fluids of different nature, from atomic and molecular to protein and colloidal systems.
期刊介绍:
The journal includes papers in the following areas:
– Simple organic liquids and mixtures
– Ionic liquids
– Surfactant solutions (including micelles and vesicles) and liquid interfaces
– Colloidal solutions and nanoparticles
– Thermotropic and lyotropic liquid crystals
– Ferrofluids
– Water, aqueous solutions and other hydrogen-bonded liquids
– Lubricants, polymer solutions and melts
– Molten metals and salts
– Phase transitions and critical phenomena in liquids and confined fluids
– Self assembly in complex liquids.– Biomolecules in solution
The emphasis is on the molecular (or microscopic) understanding of particular liquids or liquid systems, especially concerning structure, dynamics and intermolecular forces. The experimental techniques used may include:
– Conventional spectroscopy (mid-IR and far-IR, Raman, NMR, etc.)
– Non-linear optics and time resolved spectroscopy (psec, fsec, asec, ISRS, etc.)
– Light scattering (Rayleigh, Brillouin, PCS, etc.)
– Dielectric relaxation
– X-ray and neutron scattering and diffraction.
Experimental studies, computer simulations (MD or MC) and analytical theory will be considered for publication; papers just reporting experimental results that do not contribute to the understanding of the fundamentals of molecular and ionic liquids will not be accepted. Only papers of a non-routine nature and advancing the field will be considered for publication.