A self-consistent analysis of cluster morphology in supercritical carbon dioxide from Small Angle X-ray Scattering

IF 3.1 3区化学 Q3 CHEMISTRY, PHYSICAL

Chemical Physics Letters Pub Date : 2025-06-09 DOI:10.1016/j.cplett.2025.142190

Priyanka Muhunthan , Arijit Majumdar , Khaled Younes , Guillaume Vignat , Haoyuan Li , Ivan Rajkovic , Thomas Weiss , Dimosthenis Sokaras , Matthias Ihme

引用次数: 0

Abstract

Supercritical carbon dioxide (sCO₂) forms structural heterogeneities arising from molecular clusters, which can be quantified with Small Angle X-ray Scattering (SAXS) measurements. We perform SAXS of sCO₂ to examine how the cluster morphology (size and shape) is related to the local thermodynamic condition. We find that the primary cluster shape shifts from sphere-like near the Widom line to disk-like further away. By relating cluster morphology to heat capacity, we show how the cluster structure affects the thermodynamic response functions in supercritical fluids.

Abstract Image

查看原文本刊更多论文

小角x射线散射对超临界二氧化碳中团簇形态的自洽分析

超临界二氧化碳（sCO2）由分子簇形成结构非均质性，可以用小角x射线散射（SAXS）测量来量化。我们对sCO2进行SAXS，以检查簇形态（大小和形状）与局部热力学条件的关系。我们发现主星团的形状从靠近智慧线的球形转变为更远的圆盘状。通过将团簇形态与热容量联系起来，我们展示了团簇结构如何影响超临界流体中的热力学响应函数。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

求助全文

约1分钟内获得全文求助全文

来源期刊

Chemical Physics Letters 化学-物理：原子、分子和化学物理

CiteScore

5.70

自引率

3.60%

发文量

798

审稿时长

33 days

期刊介绍： Chemical Physics Letters has an open access mirror journal, Chemical Physics Letters: X, sharing the same aims and scope, editorial team, submission system and rigorous peer review. Chemical Physics Letters publishes brief reports on molecules, interfaces, condensed phases, nanomaterials and nanostructures, polymers, biomolecular systems, and energy conversion and storage. Criteria for publication are quality, urgency and impact. Further, experimental results reported in the journal have direct relevance for theory, and theoretical developments or non-routine computations relate directly to experiment. Manuscripts must satisfy these criteria and should not be minor extensions of previous work.