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[Temperature dependent Raman spectra and micro-structure study of cuspidine in solid and liquid phases]
Yu-Jing Niu1, Jing-Lin You, Yuan-Yuan Wang
1Shanghai Key Laboratory of Modern Metallurgy & Materials Processing, School of Materials Science and Engineering, Shanghai University, Shanghai 200072, China. niuyujing@163.com
Guang Pu Xue Yu Guang Pu Fen Xi = Guang Pu
|February 17, 2011
Summary
Raman spectroscopy reveals cuspidine
Area of Science:
- Materials Science
- Solid-State Chemistry
- Spectroscopy
Context:
- Cuspidine is crucial in metallurgical continuous casting mould flux.
- Understanding its behavior at high temperatures is vital for industrial processes.
Purpose:
- To investigate the structural and vibrational properties of cuspidine under varying temperatures.
- To assign experimental Raman spectra using theoretical calculations.
Summary:
- Ambient and high-temperature Raman spectra of cuspidine were recorded (298–1723 K).
- Spectra showed temperature-dependent shifts and changes, indicating a non-unitary liquid-state microstructure with coexisting clusters.
- Density Functional Theory (DFT) simulations aided in assigning experimental vibrational wavenumbers.
Impact:
- Provides insights into the physical and chemical behavior of cuspidine in mould flux.
- Establishes an in-situ Raman spectroscopic method for studying materials under extreme temperatures.
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