能源草组分对高温热解焦气化反应特性的影响机制研究

Energy grass is the most potential energy plants, so the high temperature gasification of the energy grass is an important way for efficient utilization of it. Components of the energy grass have great influence on the physico-chemical structure of high temperature pyrolysis tar, which further affects its gasification reaction properties. So far it is not clear about the inner relation between the physico-chemical structure evolution law of high temperature pyrolysis tar and the formation mechanism of high temperature gasification products. In this project, the physico-chemical structure of energy grass high temperature pyrolysis tar produced from different mixed samples is characterized, and its evolution behavior under different pyrolysis temperature in different pyrolysis atmosphere is analyzed, so that the influence rule of energy grass components on its physico-chemical properties is revealed. Moreover, the gasification reaction dynamic characteristics and reaction products precipitation rule of high temperature pyrolysis tar are researched, and the evolution law of pyrolysis tar physico-chemical properties in the gasification reaction process is analyzed, so that the inner relation between them is clarified. Quantum chemistry theory is adopted to construct the molecular structure model of high temperature pyrolysis tar according to its molecular structure characteristics. Microscopic mechanism of chemical reaction for the gasification of high temperature pyrolysis tar is studied by combination of theory and experiment research, so as to explore the influence mechanism of energy grass components on the gasification reaction properties of high temperature pyrolysis tar. This research results will provide theoretical guidance for improving the efficiency of energy grass high temperature gasification, and contribute to the technology development and device design for energy grass high temperature gasification.

能源草是目前极具发展潜力的能源植物，对其进行高温气化是高效利用能源草的重要途径。能源草的组分对高温热解焦的物化结构具有较大影响，进而影响其气化反应特性。目前，高温热解焦表面物化结构演变规律与高温气化产物形成机理之间的内在关联，尚不清楚。本项目拟对不同混合样制备的能源草高温热解焦物化结构进行表征，分析其在不同热解温度和热解气氛下焦颗粒表面物化结构演化行为，揭示能源草组分对其物化特性的影响规律；研究高温热解焦气化反应动力学特性及反应产物析出规律，分析气化反应过程中热解焦物化特性的演变规律，阐明两者之间的内在关联；根据高温热解焦的分子结构特征，采用量子化学理论构建高温热解焦分子结构模型，并运用理论与实验相结合的方法，研究高温热解焦气化的微观化学反应机理，探索能源草组分对高温热解焦气化反应特性的影响机制。本项目研究成果将为提高能源草高温气化效率提供理论指导，有助于能源草高温气化工艺和装置的设计开发。

能源草是目前极具发展潜力的能源植物，对其进行高温气化是高效利用能源草的重要途径。能源草的组分对高温热解焦的物化结构具有较大影响，进而影响其气化反应特性。目前，高温热解焦表面物化结构演变规律与高温气化产物形成机理之间的内在关联，尚不清楚。本项目对热解焦物化结构进行了表征，分析了其在不同热解温度和热解气氛下热解焦表面物化结构演化行为，揭示了组分对其物化特性的影响规律；采用热重分析仪进行了热解焦的等温及非等温气化反应实验研究，研究了热解温度，升温速率及组分混合比对热解焦气化反应活性的影响；研究了热解气氛、热解温度、气化温度、气化剂、组分混合比及催化剂碱金属对热解焦气化反应特性的影响；采用颗粒模型(VM)、均相模型(GM)、随机孔模型(RPM)及等转化率法计算了热解焦气化反应平均活化能；确定了热解焦气化反应最可几机理函数；阐明了高温气化过程中热解焦气化反应特性与其物化特性演变规律的内在关联，探索了组分对热解焦气化反应特性的影响机制。根据高温热解焦的分子结构特征，采用量子化学理论构建并验证了热解焦的二维结构模型，并运用理论与实验相结合的方法，研究了热解焦CO2气化微观化学反应机理，最终确定了主反应路径和最终产物。本项目研究成果将为提高能源草高温气化效率提供理论指导，有助于能源草高温气化工艺和装置的设计开发。本项目组与英国阿斯顿大学欧洲生物质研究中心进行了热解焦气化反应特性的合作研究。项目完成了预期目标。在本项目的支持下，共发表/录用期刊论文20篇，其中SCI期刊论文9篇（一区文章5篇，二区文章2篇），EI中文期刊论文2篇，申请发明专利4项（授权1项），培养研究生5名。