Ion Clusters in Multicomponent Solutions Determined from X-ray PDF and SAXS Analysis: The NaNO2–NaOH–H2O System

IF 4.6 2区化学 Q2 CHEMISTRY, PHYSICAL

The Journal of Physical Chemistry Letters Pub Date : 2025-10-06 DOI:10.1021/acs.jpclett.5c02614

Jacob G. Reynolds, , , Emily T. Nienhuis*, , , Sebastian T. Mergelsberg, , and , Carolyn I. Pearce,

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Abstract

This study explores ion cluster formation in the NaNO₂–NaOH–H₂O system to understand how ion cluster formation is influenced by the composition in multicomponent mixtures. X-ray pair distribution function (PDF) and small-angle X-ray scattering (SAXS) identified complex ion clusters in concentrated NaNO₂ and NaOH solutions as well as their mixtures. PDF analysis showed that the Na–O distance depended primarily on total Na⁺ concentrations rather than anion composition, whereas the nitrite-water oxygen distance stayed the same regardless of concentration or composition. This result indicates that the nitrite ion hydration was relatively independent of composition. SAXS confirms local fluctuations and coherent clusters with notable size differences between NaOH and NaNO₂ solutions. SAXS analysis of mixed solutions shows that their clusters are an average of the individual solutions, indicating mixed clusters.

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由x射线PDF和SAXS分析确定的多组分溶液中的离子团簇：NaNO2-NaOH-H2O体系。

本研究探讨了NaNO2-NaOH-H2O体系中离子团簇的形成，以了解多组分混合物中离子团簇的形成如何受到组分的影响。x射线对分布函数（PDF）和小角度x射线散射（SAXS）鉴定了浓NaNO2和NaOH溶液及其混合物中的复合离子团簇。PDF分析表明，Na- o距离主要取决于总Na+浓度，而不是阴离子组成，而亚硝酸盐-水氧距离无论浓度或组成如何都保持不变。这表明亚硝酸盐离子的水化作用相对独立于组分。SAXS证实了NaOH和NaNO2溶液之间的局部波动和相干簇具有显着的尺寸差异。混合溶液的SAXS分析表明，它们的簇是单个溶液的平均值，表明混合簇。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

The Journal of Physical Chemistry Letters CHEMISTRY, PHYSICAL-NANOSCIENCE & NANOTECHNOLOGY

CiteScore

9.60

自引率

7.00%

发文量

1519

审稿时长

1.6 months

期刊介绍： The Journal of Physical Chemistry (JPC) Letters is devoted to reporting new and original experimental and theoretical basic research of interest to physical chemists, biophysical chemists, chemical physicists, physicists, material scientists, and engineers. An important criterion for acceptance is that the paper reports a significant scientific advance and/or physical insight such that rapid publication is essential. Two issues of JPC Letters are published each month.