Subcritical Determination of the Frenkel Line in Liquid Nitrogen, the Emergent Final Picture, and a Universal Equation for the Coordination Number of Real Fluids.
Ciprian G Pruteanu, Ayobami D Daramola, Marcin Kirsz, Cerian E A Robertson, Luke J Jones, Tianrui Wang, John S Loveday, Graeme J Ackland, Oliver L G Alderman, John E Proctor
{"title":"Subcritical Determination of the Frenkel Line in Liquid Nitrogen, the Emergent Final Picture, and a Universal Equation for the Coordination Number of Real Fluids.","authors":"Ciprian G Pruteanu, Ayobami D Daramola, Marcin Kirsz, Cerian E A Robertson, Luke J Jones, Tianrui Wang, John S Loveday, Graeme J Ackland, Oliver L G Alderman, John E Proctor","doi":"10.1021/acs.jpcb.5c00018","DOIUrl":null,"url":null,"abstract":"<p><p>We performed a series of neutron scattering experiments on deeply subcritical liquid nitrogen at 90 K (0.7<i>T</i><sub><i>C</i></sub>). Our findings, when taken together with our previous results at 160 K (1.27<i>T</i><sub><i>C</i></sub>) and 300 K (2.4<i>T</i><sub><i>C</i></sub>), allow the Frenkel line phenomenon to be characterized in a reliable and consistent manner over an extremely broad temperature range, extending into the subcritical regime. Through an analysis of local order, we show how the fluid structure changes as the Frenkel line is crossed and present a new method for identifying the line. Our determination of coordination numbers shows a remarkable data collapse when plotted against density. This allows us to produce a universal relationship relating the coordination number to the density of a simple fluid, dictated by molecular/atomic size and its density on the melt line.</p>","PeriodicalId":60,"journal":{"name":"The Journal of Physical Chemistry B","volume":" ","pages":"3420-3427"},"PeriodicalIF":2.8000,"publicationDate":"2025-04-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11973876/pdf/","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"The Journal of Physical Chemistry B","FirstCategoryId":"1","ListUrlMain":"https://doi.org/10.1021/acs.jpcb.5c00018","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"2025/3/25 0:00:00","PubModel":"Epub","JCR":"Q3","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
引用次数: 0
Abstract
We performed a series of neutron scattering experiments on deeply subcritical liquid nitrogen at 90 K (0.7TC). Our findings, when taken together with our previous results at 160 K (1.27TC) and 300 K (2.4TC), allow the Frenkel line phenomenon to be characterized in a reliable and consistent manner over an extremely broad temperature range, extending into the subcritical regime. Through an analysis of local order, we show how the fluid structure changes as the Frenkel line is crossed and present a new method for identifying the line. Our determination of coordination numbers shows a remarkable data collapse when plotted against density. This allows us to produce a universal relationship relating the coordination number to the density of a simple fluid, dictated by molecular/atomic size and its density on the melt line.
在90 K （0.7TC）温度下对深亚临界液氮进行了一系列中子散射实验。我们的发现，当与我们之前在160 K （1.27TC）和300 K （2.4TC）下的结果结合在一起时，允许在极宽的温度范围内以可靠和一致的方式表征Frenkel线现象，延伸到亚临界状态。通过对局部阶数的分析，揭示了流体结构在越过弗伦克尔线时的变化规律，并提出了一种新的识别法。我们对配位数的确定表明，在绘制密度时，数据出现了显著的崩溃。这使我们能够得出配位数与简单流体密度的普遍关系，由分子/原子大小及其在熔体线上的密度决定。
期刊介绍：
An essential criterion for acceptance of research articles in the journal is that they provide new physical insight. Please refer to the New Physical Insights virtual issue on what constitutes new physical insight. Manuscripts that are essentially reporting data or applications of data are, in general, not suitable for publication in JPC B.
求助内容：
应助结果提醒方式：
京公网安备 11010802042870号
