在UCl的高温拉曼光谱:一种结合实验和理论研究
Andrew C Strzelecki1,2, Gaoxue Wang3, Sarah M Hickam2
1Earth and Environmental Sciences Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, United States.
在高温下测量了三化 (UCl3) 的拉曼光谱. 温度上升导致了振动模式的红移,表明U-Cl键的延长.
科学领域:
- 核工程 核工程是指核工程.
- 材料科学 材料科学 材料科学
- 频谱学是一种光谱学.
背景情况:
- 三化 (UCl3) 对于盐反应堆和核燃料再加工至关重要.
- 了解UCl3的热特性对于反应堆的安全性和效率至关重要.
研究的目的:
- 通过实验确定UCL3.3的拉曼光谱.
- 为了研究UCL3的振动模式的温度依赖性.
- 为了将实验结果与理论计算和其他金属化物进行比较.
主要方法:
- 实验测量了从环境到871K的UCL3的拉曼光谱.
- 使用热膨胀数据和温度导数计算格鲁尼森参数.
- 执行密度函数理论 (DFT+U) 的计算.
主要成果:
- 观察到五种拉曼活跃振动模式中的红移,随着温度的增加.
- 确定了0.91 ± 0.02.02的平均等离子模式格鲁尼森参数.
- 在实验结果和DFT+U计算结果之间发现了良好的一致性.
结论:
- 观察到的红移归因于在更高温度下U-Cl键的延长.
- 确定的格鲁尼森参数为UCl3的热行为提供了洞察力.
- 结果为了解高温核应用中的UCl3提供了基础.
更多相关视频
11:38In situ FTIR Spectroscopy as a Tool for Investigation of Gas/Solid Interaction: Water-Enhanced CO2 Adsorption in UiO-66 Metal-Organic Framework
Published on: February 1, 2020
09:18Laser-heating and Radiance Spectrometry for the Study of Nuclear Materials in Conditions Simulating a Nuclear Power Plant Accident
Published on: December 14, 2017
相关概念视频
Raman Spectroscopy: Overview
However, a small fraction of the scattered light exhibits a frequency shift due to the exchange of energy between the incident photons and...
Raman Spectroscopy Instrumentation: Overview
The monochromatic laser source, typically using visible or near-infrared radiation, generates a highly focused beam of light. This light interacts with the molecules of the sample, scattering some of the light. Liquid and gaseous samples are usually tested in ordinary glass capillaries, while solids can be analyzed as powders packed in capillaries or as potassium...
UV–Vis Spectroscopy of Conjugated Systems
One of the factors influencing λmax is the extent...
UV–Vis Spectroscopy: Molecular Electronic Transitions
Ultraviolet and Visible (UV–Vis) Spectroscopy: Overview
