中等变质程度煤的高值材料化及功能化基础

黑龙江中等变质程度煤芳香和脂肪特征并存、分子量适中，既适合热解成气，也适合熔融成液，是制备高值碳材料的理想原料。项目以气、液、固三个视角剥离煤成碳机理的复杂性，在高值化、功能化需求引领下，提出煤基材料分质定向转化的构想和途径：（1）提出将热解气组分分为成碳组分和愈合组分的分子规格化思想及方法，发展煤中芳香组分成碳过程不同尺度缺陷的梯级愈合方法；（2）利用中间相非催化低温石墨化的天然禀赋，发展基于内源或外源共振稳定自由基的中间相均相、异相成核多尺度调控策略，揭示共振稳定自由基对流动性、炭化进程以及成碳品质的全局性调控机制；（3）围绕碳材料从功能到结构的多尺度需求，提出“利用同素异形发展同质异构”的碳材料制备思想，将介观微域结构作为连接微观功能和宏观结构的桥梁，发展基于焦煤同质复合结构的功能畴和结构畴协同构筑方法。上述研究可为中等变质程度煤高值材料化及功能化技术开发提供理论基础。

Medium metamorphic coal in Heilongjiang has both aromatic and fatty characteristics, as well as moderate molecular weight, which is suitable for pyrolysis into gas or melting into liquid. It is an ideal raw material for the preparation of high value carbon materials. This project reveals the complexity of mechanism from coal to coal-derived carbon from three perspectives of gas, liquid and solid phases. Under the guidance of high-value and functionalization demand, the thoughts and approaches of coal-based material quality oriented transformation are put forward: (1) pyrolysis gas components can be divided into carbon-forming component and defect-healing component based on the idea and method of molecular normalization based on which a step-by-step healing method for the defects of different scales in the process of carbon formation from aromatic components can be developed; (2) taking advantage of the natural character of mesophase on non-catalytic graphitization at low temperature, a multi-scale regulation strategy of homogeneous and heterogeneous nucleation of mesophase based on either endogenous or exogenous resonant stabilized radicals can be developed. The global regulation mechanism of resonant stabilized radicals on fluidity, carbonization process and carbonization quality will be elucidated; (3) focusing on the multi-scale demand of carbon materials from function to structure, the idea of “from allotropic to isomeric” is proposed for the preparation of carbon materials. Taking mesoscopic microdomain structure as a bridge connecting micro-function and macro-structure, collaborative construction method of functional domain and structural domain can be propose based on the composite structure of coke and coal. The above research will provide a theoretical basis for the development of high value and functional carbon materials from medium metamorphic coal.