燃料化学学报2016，Vol.44Issue(5)：513-520,8.
高岭土对准东高碱煤煤灰熔融特性影响的量子化学与实验研究
Effect of kaolin on the ash fusion characteristics of high alkali Zhundong coal:A quantum chemistry and experimental study
摘要
Abstract
The effect of kaolin on the ash fusion characteristics of high alkali Xinjiang Zhundong coal was investigated by quantum chemistry calculation and experimental measurement methods. The results show that the ash fusion temperature is increased significantly by adding kaolinite;the ash fusion temperature increases rapidly at first with the increase of kaolinite content added in the Zhundong coal and then levels off when the fraction of kaolinite exceeds 10%. By adding kaolin in the Zhundong coal, the content of minerals with a low melting point (1 100-1 200 ℃) , such as anorthite and anhydrite, is reduced, whereas mullite is found at 1 200-1 300 ℃. O(26), Si(6), O(22) and Si(8) atoms in the kaolinite molecular structure exhibit relatively high reactivity;Al-O bond, which is connected with O(26) and O(22), can be ruptured by reacting with Fe2+ or other metal ions in ash as an electrophilic reagent. The O2- of alkali oxides in ash, such as Na2 O and CaO, can react as a nucleophilic reagent with Si ( 6 ) and Si ( 8 ) in kaolinite, breaking the oxygen bridge bond of Si-O-Si in kaolinite.关键词
准东煤/高岭土/密度泛函理论/灰熔融特性/高碱煤/反应活性Key words
Zhundong coal/kaolin/density functional theory/ash fusion characteristics/high alkali coal/reactivity分类
能源科技引用本文复制引用
李瑞连,杜梅芳,乌晓江,许鲁霞,张忠孝..高岭土对准东高碱煤煤灰熔融特性影响的量子化学与实验研究[J].燃料化学学报,2016,44(5):513-520,8.基金项目
The project was supported by the National Natural Science Foundation of China(51276212).国家自然科学基金(51276212)资助 （51276212）
