近年来，煤快速热解制油技术在我国的规模化步伐很快，但都遇到了油品质量差、系统易堵塞、后续加工困难等问题。本项目以煤快速热解技术的化学反应调控为目标，重点研究高挥发分煤热解中的自由基反应，特别是焦油中大自由基碎片的反应行为，并力图将自由基反应行为与煤中弱共价键的键合结构相关联，进而通过计算机模拟推演热解过程中的主要反应网络，文献中尚没有发现这些方面的研究。主要研究内容包括10种高挥发分煤在不同条件下热解挥发的阶段特征、不同加热和冷却条件下4种代表性煤的热解焦油中自由基浓度随时间的变化、高挥发分煤弱键合结构模型的构建、及煤热解过程原理性步骤的计算机推演。

Fast pyrolysis of coal has been considered as a technique to produce more liquid product, tar, than the traditional coking process and very popular in China in the past decade. However, problems start to show in almost all the mid-and-large scale units that include poor product quality and plugging of the downstream system. These problems severely hampered the commercialization of the technique and have led to great investment losses. To find solutions to these problems this project studies the reactions of radical fragments generated from thermal cleavage of covalent bounds in coal, and tries to come up suggestions for advancement of the technology. The project includes researches on radical concentration in tar produced under various heating and product quenching conditions, correlation of radical reactions with the amounts of weak covalent bonds in coal, and modeling of the pyrolysis based on bond dissociation energies, Maxwell Boltzmann's law of energy distribution, and random collision of radicals for condensation.