文献类型：期刊文献

英文题名：Low-temperature potassium migration mechanism of rice husk thermal treatment high-purity SiO2 extraction: An experimental and molecular dynamics study

作者：Zhu, Kunqian[1,2];Ding, Hao[1,2];Shen, Zhongjie[1,2];Liu, Haifeng[1,2,3]

机构：[1]East China Univ Sci & Technol, Natl Energy Coal Gasificat Technol Res & Dev Ctr, POB 272, Shanghai 200237, Peoples R China;[2]East China Univ Sci & Technol, Shanghai Engn Res Ctr Coal Gasificat, POB 272, Shanghai 200237, Peoples R China;[3]Liaoning Petrochem Univ, Fushun 113001, Liaoning, Peoples R China

年份：2026

卷号：416

外文期刊名：FUEL

收录：;EI(收录号：20260620014104);WOS:【SCI-EXPANDED(收录号:WOS:001683126600001)】；

基金：This study is supported by the National Natural Science Foundation of China (grant No. 22378130 and U23B20170) .

语种：英文

外文关键词：Rice husk; Low-temperature thermal treatment; Potassium migration; High-purity SiO 2; Molecular dynamics simulation

摘要：Rice husk is a silicon-rich biomass, and the potassium content within it affects the purity of silica produced from it. This study investigates the process of silica production from rice husk through low-temperature thermal treatment. Comprehensive characterizations using XRF, ICP-OES, SEM-EDS, TEM, and FTIR were employed to study the dynamic changes of potassium during the process. The results showed that after acid leaching, the silica purity of rice husk treated at 300 degrees C remained at 96.61 wt%, while at lower temperatures, the purity consistently exceeded 98.00 wt%. ICP-OES analysis indicated that at lower temperatures, potassium primarily exists in a water-soluble or weakly bound state, allowing effective removal by acid leaching. However, at 300 degrees C, potassium interacts with amorphous SiO2 and the carbon matrix, forming a more stable, insoluble phase that significantly reduces potassium removal efficiency. Furthermore, ReaxFF molecular dynamics (MD) simulations, based on an amorphous SiO2-K2O model, provided molecular-level insights into potassium migration, revealing the atomic trajectories of potassium within the disordered silica matrix. These findings enhance the understanding of potassium dynamics during thermal treatment and its impact on the purity of silica.