化工学报2026，Vol.77Issue(2)：537-560,24.DOI:10.11949/0438-1157.20250864
煤气化熔渣结构的多尺度研究进展
Advances in multiscale study of coal gasification slag structure
摘要
Abstract
Coal clean and efficient utilization of coal is a key path for China's energy transition.As a core process in modern coal chemical engineering,fluidized bed gasification relies heavily on the fluidity of the slag to determine the operational stability of the gasifier.The structural characteristics of gasification slag fundamentally govern its key physicochemical properties.This paper systematically reviews research progress on the multi-scale structure of molten slag,and summarizes the computational principles and analytical methods for structural parameters at each scale.An overview of theoretical developments in silicate melts is also provided.The key progress in experimental characterization,molecular simulation,and artificial intelligence applied to slag research is examined,along with the advantages and limitations of each approach.By tracing the theoretical evolution from polymerization and charge compensation to oxygen bond structure,ring statistics,and dynamic behavior,this article highlights a paradigm shift in understanding slag systems—from static statistical description to dynamic evolution mechanisms.The study reveals that the dynamic evolution of slag structure governs its rheological behavior.Moving forward,it is imperative to develop in situ characterization techniques coupled with machine learning and multi-scale simulations,establish high-quality and standardized databases of physicochemical properties and structures,and create interpretable machine learning models integrated with physical mechanisms.These efforts will provide a solid theoretical foundation for the precise regulation of slag properties and the optimization of gasification processes.关键词
煤气化/熔渣结构/灰化学/多尺度/分子模拟/显微结构Key words
coal gasification/slag structure/coal ash chemistry/multiscale/molecular simulation/microstructure分类
化学化工引用本文复制引用
高龙飞,白进,刘星辰,孔令学,李怀柱,白宗庆,李文..煤气化熔渣结构的多尺度研究进展[J].化工学报,2026,77(2):537-560,24.基金项目
国家自然科学基金项目(22508401,U23A20129) （22508401,U23A20129）
榆林学院中国科学院洁净能源创新研究院联合基金(YLU-DNLFund2025005) （YLU-DNLFund2025005）
山西省基础研究计划(202403011241007) （202403011241007）
