|About this Abstract
||2018 TMS Annual Meeting & Exhibition
||Alumina & Bauxite
||Study on the Structure and Generation Mechanism of Intermediate (6AlO-OH) in Decomposition Process of Sodium Aluminate Solutions
||Wei Liu, Zhoulan Yin, Yaling Huang, Zhiying Ding
|On-Site Speaker (Planned)
The intermediate (6AlO-OH) from decomposition of sodium aluminate solutions was verified with Raman and UV-Vis spectrometry. The generation mechanism of intermediate was explored. The molecular structure and spectroscopic property (Raman and UV-Vis spectra) of intermediate (6AlO-OH) were calculated by the quantum computational chemistry method based on DFT method employing B3LYP level with 6-311+G (d,p) basis set. By analyzing the experimental and calculated spectra results, it was confirmed that the intermediate is 6AlO-OH during the decomposition process of sodium aluminate solutions. The molecular electrostatic potential of intermediate (6AlO-OH) was also determined.
||Planned: Light Metals