在原料劣化与环保的双重压力下，科学提升罐式炉煅烧技术水平对铝用炭素行业的可持续发展具有重要的现实意义。挥发分是维持罐式炉自热煅烧的主要热源，其迁移转化行为与煅后焦质量及生产稳定紧密相关，然而目前该方面基础理论研究相对薄弱，仅停留在凭人工经验的粗放式控制层面，炉况异常频发。为此，本项目围绕“罐式炉内高温多元多相热化学反应与热质传递耦合作用下，石油焦中挥发分热解析出-迁移-转化机理”这一关键科学问题，拟开展石油焦煅烧过程多尺度建模及挥发分迁移转化行为研究。通过热分析动力学、相平衡热力学及基元反应动力学，解析石油焦一次热解和挥发分二次反应特性；基于格子玻尔兹曼方法研究挥发分在石油焦颗粒孔隙内的热质传递行为；结合CFD-DEM耦合方法研究工艺参数对罐式炉内多物理场时空分布的影响规律，揭示炉内石油焦中挥发分热解析出-迁移-转化机理，提出炉体结构及工艺优化策略，为罐式炉煅烧技术水平提升奠定理论基础。

With the pressure on the deterioration of raw material and environmental protection being increased, scientifically improving the comprehensive level of calcined petroleum coke technology of vertical shaft calciner has important practical significance for the sustainable development of the carbon industry for aluminum. Volatile matter is the main fuel source to maintain the autothermal calcination of the vertical shaft calciner, and its migration and transformation behavior is closely related to the petroleum coke calcination quality and stable production. However, the basic theoretical research in this area is relatively weak at present, and it only stays at the level of extensive control based on human experience, and the furnace condition is abnormal frequently. For this reason, this project closely focuses on the key scientific problem of “the mechanism of thermal decomposition-migration-conversion of volatiles in petroleum coke under the coupling effect of high-temperature multicomponent multiphase thermochemical reaction and heat and mass transfer in a vertical shaft calciner”, and plans to carry out the investigation of multi-scale modeling of the calcination process of petroleum coke and the migration and the transformation mechanism of volatile matter. First of all, the characteristics of primary pyrolysis of petroleum coke and secondary reaction of volatiles is analyzed through thermal analysis kinetics, phase equilibrium thermodynamics and elementary reaction kinetics. Then the heat and mass transfer behavior of volatiles in the pores of petroleum coke particles is researched based on lattice Boltzmann method. Finally, the influence law of spatiotemporal distribution of multi-physics affected by the process parameters in a vertical shaft calciner is studied by the CFD-DEM coupling method. The mechanism of thermal decomposition-migration-transformation of volatiles in petroleum coke in the furnace is revealed, and the furnace structure optimization and process improvement strategy are proposed. It is anticipated that the study achievements can lay a theoretical foundation for the improvement of the calcination technology of the vertical shaft calciner.