为实现“双碳”目标下煤化工行业的转型，以煤分子的禀赋特征为出发点，通过提升其精细转化产物的价值，实现生产过程清洁化及目标产品高端化。基于质谱学方法可以深层探究煤分子的结构特征，以碰撞诱导解离等质谱方法研究煤分子及煤温和转化为主线，评述了煤分子结构的相关研究进展，通过分子水平的探究为认知煤分子结构单元、监控杂原子反应途径、优选催化剂及反应体系提供了方法学借鉴。

In order to realize the cleanliness of coal chemical production process, high-end target products and transformation of the industry under the goal of "double carbon", the endowment characteristics of coal molecules are used as the starting point to enhance the value of its fine conversion products. Mass spectrometry (MS) can clearly analyze the structural characteristics of coal molecules at the molecular level. This paper reviewed the research progress in coal molecules and mild conversion of coals using collision induced dissociation, a MS method. The progress of research related to the structure of coal molecules was reviewed. Determining the distribution of heteroatoms on aromatic nuclei and lipid chains allows the evaluation of the differences in reactivity of heteroatoms at different positions. The study of mass spectrometry methods in coal molecular structure profiling provides methodological guidance for understanding coal molecular structure units, monitoring heteroatom reaction pathways, and optimizing catalysts and reaction systems. 

0 引言

1 煤分子芳香核与脂链

2 煤有机质杂原子的脱除评价

3 煤分子量区间特征

4 结语与展望