欢迎您！东篱公司
退出
-
申报数据库
-
立项数据库
-
成果数据库
-
项目获奖数据库
中文摘要：
枪晶石在传统冶金连铸保护渣中起着十分重要的作用。采用紫外激光光源和电荷耦合器件（CCD）探测器,测定了枪晶石晶体和高温拉曼光谱（温度范围：298~1 723 K）,观察了其在变温状态（升温和降温过程）下的特征谱变化。谱图结果显示,枪晶石熔态微结构单元与固态的相比更为多元化,表明熔体状态下多种团簇结构共存。同时,利用枪晶石晶胞结构模型,通过Dmol3密度泛函（DFT）理论计算了其分子振动频率,将其与实验值相结合,确定了特征谱峰的归属,为进一步采用拉曼光谱法原位研究保护渣中枪晶石的结构变化与行为特征提供了重要依据。
英文摘要：
Cuspidine plays an important role in conventional metallurgical continuous casting mould flux.An UV laser source was used to record its ambient and high temperature Raman spectra（temperature range： 298-1 723 K） combined with a charge coupled device（CCD） detector.Both increasing and decreasing processes as well as characteristic spectra and shifts in wavenumber were observed.Micro-structure of cuspidine in liquid state is not unitary and different from that in solid state,suggesting multi clusters coexisting.Density functional theory（DFT） simulation method was applied to calculate its wavenumbers of Raman active vibrations by introducing the crystal spatial configuration model of cuspidine.Thus the experimental vibrational wavenumbers of the characteristic peaks could be assigned.This will help study physical and chemical behavior of cuspidine in continuous casting mould flux and provide an unique in-situ method under varying temperature with Raman spectroscopic technique.
同期刊论文项目
同项目期刊论文
High temperature Raman spectroscopy study on the microstructure of the boundary layer around a growi
In situ investigation of the microstructure of KGd(WO4)2 crystal growth boundary layer by confocal l
High temperature Raman spectroscopic study of the micro-structure of a caesium triborate crystal and
Raman spectroscopy and density functional theory analyses of the melt structure in Li2B4O7 crystal g
The influence of alkali metal ions on crystallization habits of nonlinear optical crystal containing
High Temperature Raman Spectroscopy of Microstructure around the Growing b-BaB2O4 Crystal in BaO-B2O
Quantum Chemistry ab initio Calculation Study on Microstructure and Raman Spectra of Phosphosilicate
Temperature Dependent Raman Spectra and Micro-Structure Study of Cuspidine in Solid and Liquid Phase
A Study of Phonon Vibration Like Modes for Aggregation Structure in Silicate Melts by High Temperatu
期刊信息
位置：