煤气化熔渣结构的多尺度研究进展

高龙飞; 白进; 刘星辰; 孔令学; 李怀柱; 白宗庆; 李文

doi:10.11949/0438-1157.20250864

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煤气化熔渣结构的多尺度研究进展

综述与专论 | 更新时间：2026-04-03

- 煤气化熔渣结构的多尺度研究进展
- Advances in multiscale study of coal gasification slag structure
- 化工学报 2026年77卷第2期页码：537-560
- 作者机构：
  
  1.中国科学院山西煤炭化学研究所煤炭高效低碳利用全国重点实验室，山西太原 030001
  2.中国科学院大学，北京 100049
- 作者简介：
  
  高龙飞（1995—），男，博士，助理研究员，gaolongfei@sxicc.ac.cn
  白进（1981—），男，博士，研究员，stone@sxicc.ac.cn
- 基金信息：
  
  国家自然科学基金项目(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);山西省基础研究计划(202403011241007)
- DOI：10.11949/0438-1157.20250864
  中图分类号： TQ 541;TQ 171.1
- 收稿：2025-08-04，
  
  修回：2025-11-10，
  
  纸质出版：2026-02-25
- 稿件说明：
移动端阅览
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

GAO Longfei, BAI Jin, LIU Xingchen, KONG Lingxue, LI Huaizhu, BAI Zongqing, LI Wen. Advances in multiscale study of coal gasification slag structure[J]. CIESC Journal, 2026, 77(2): 537-560
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 DOI： 10.11949/0438-1157.20250864.

GAO Longfei, BAI Jin, LIU Xingchen, KONG Lingxue, LI Huaizhu, BAI Zongqing, LI Wen. Advances in multiscale study of coal gasification slag structure[J]. CIESC Journal, 2026, 77(2): 537-560 DOI： 10.11949/0438-1157.20250864.

摘要

煤炭清洁高效利用是我国能源转型的关键路径，气流床气化作为现代煤化工的核心工艺，熔渣的流动性决定着气化炉运行稳定性。气化熔渣的结构特征决定了其黏度、熔点等关键物化性质，系统综述了熔渣从宏观、介观到微观的多尺度结构研究进展，论述了其多维结构特征，总结了各尺度结构参数的计算原理及分析方法，回顾了硅酸盐熔体领域的理论发展概况。论述了实验表征、分子模拟技术以及人工智能等方法在熔渣研究中的关键进展，以及各类方法的优势与局限。通过对聚合度理论、电荷补偿理论到氧键结构、环分布以及动态演化理论的梳理，论述了熔渣体系从静态统计描述到动态演化机制认知的范式转变。研究发现熔渣结构的动态演化主导流变行为，未来需发展原位表征技术耦合机器学习和多尺度模拟，构建高质量、标准化的物性与结构数据库，并发展融合物理机理的可解释机器学习模型，为熔渣性质的精准调控与气化工艺的优化提供坚实的理论基础。

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

Keywords

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