Temperature and Enthalpy of Fusion of Nanooxides UO2 and ThO2 of Different Morphologies

IF 0.7 4区 化学 Q4 CHEMISTRY, PHYSICAL Russian Journal of Physical Chemistry A Pub Date : 2024-10-28 DOI:10.1134/S0036024424701772
A. P. Chernyshev
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Abstract

The dependence of the melting temperature and enthalpy of fusion on the characteristic size and morphology of nanoobjects consisting of UO2 and ThO2 was studied by the thermodynamic method. The influence of the characteristic size and morphology on the enthalpy of fusion and melting temperature of UO2 and ThO2 nanoobjects becomes noticeable when their characteristic size is less than 20 nm. The melting point abruptly decreases when the characteristic size of nanoparticles, nanowires, and thin films of UO2 and ThO2 is less than 5, 4, and 3 nm, respectively. The size effect decreases in a sequence: spherical nanoparticles–nanowires–thin films in all cases. The size effect also decreases when individual UO2 and ThO2 nanoparticles are combined into nanostructured nanoobjects. The results of calculations obtained in the present study are in good agreement with the results of calculations obtained by molecular dynamics and experimental data available in the literature.

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不同形态的纳米氧化物 UO2 和 ThO2 的温度和熔焓
利用热力学方法研究了由二氧化铀和二氧化硫组成的纳米物体的熔化温度和熔化焓与特征尺寸和形态的关系。当二氧 化铀和二氧化硫纳米物体的特征尺寸小于 20 纳米时,它们的特征尺寸和形态对其熔化焓和熔化温度的影响变得明显。当二氧 化铀和二氧化硫的纳米颗粒、纳米线和薄膜的特征尺寸分别小于 5 纳米、4 纳米和 3 纳米时,熔点会突然降低。尺寸效应依次减小:球形纳米颗粒-纳米线-薄膜。当单个二氧化钛和二氧化硫纳米粒子组合成纳米结构的纳米物体时,尺寸效应也会减小。本研究的计算结果与分子动力学计算结果和文献中的实验数据非常吻合。
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来源期刊
CiteScore
1.20
自引率
14.30%
发文量
376
审稿时长
5.1 months
期刊介绍: Russian Journal of Physical Chemistry A. Focus on Chemistry (Zhurnal Fizicheskoi Khimii), founded in 1930, offers a comprehensive review of theoretical and experimental research from the Russian Academy of Sciences, leading research and academic centers from Russia and from all over the world. Articles are devoted to chemical thermodynamics and thermochemistry, biophysical chemistry, photochemistry and magnetochemistry, materials structure, quantum chemistry, physical chemistry of nanomaterials and solutions, surface phenomena and adsorption, and methods and techniques of physicochemical studies.
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