呋喃类生物质燃料的结构对其燃烧产物的影响研究

Energy depletion and environment degradation challenge the current societies. As a new type of biofuels, furan series biofuels, especially 2-methylfuran, 2,5-dimethylfuran, and even dimethyl furan-2,5-carboxylate, may potentially relieve the issues of energy depletion, secure the energy resource, and protect the environment. The combustions of 2-methylfuran and 2,5-dimethylfuran have also attracted lots of researches. However, the current combustion mechanisms cannot satisfactorily explain the combustions of 2-methylfuran and 2,5-dimethylfuran. The formation of benzene in the flames relies heavily on the pathways of C3+C3 and C4+C2 while underestimate the contribution from the C5+C1 pathway. Although researchers have pointed out that the differences between the structures of 2-methylfuran and 2,5-dimethylfuran should account for the differences in the combustion intermediates and the reaction pathways, but little work were reported to clarify the issues comprehensively and thoroughly. This proposal aims to investigate the combustions of furan, 2-methylfuran, 3-methylfuran, 2-ethylfuran, 2,5-dimethylfuran, 2-ethyl-5-methylfuran, and dimethyl furan-2,5-carboxylate experimentally and theoretically. By comparing the combustion intermediates of these furan series biofuels with different side chains, the effects of the side chains on the combustion intermediates and hence the reaction pathways will be clarified, especially that of C5+C1 pathway on the polycyclic aromatic hydrocarbon emissions. The project may not only improve the combustion mechanisms, but also broaden the combustion theories of the furan series biofuels. The project may as well guide the practical adoption of the furan series biofuels theoretically and experimentally.

能源枯竭和环境恶化是当今世界面临的两大挑战。2-甲基呋喃、2,5-二甲基呋喃，甚至2,5-呋喃二甲酸二甲酯等作为新型生物质燃料，在缓解能源短缺，保证能源安全，保护环境等方面具有独特的优势，因此其燃烧过程得到了广泛的研究。已有的燃烧反应机理对2-甲基呋喃和2,5-二甲基呋喃的燃烧过程描述不足，尤其是苯的生成机制过分注重C3+C3和C4+C2反应通道而忽略C5+C1反应通道。研究人员已经注意到呋喃类燃料的结构对其燃烧产物和路径产生的影响，但是未全面深入阐述这一问题。本项目拟从实验上和理论上研究呋喃类燃料的燃烧过程：通过定量对比具有不同支链结构的呋喃类燃料的燃烧中间产物，阐明支链的化学结构对呋喃类燃料燃烧中间产物及燃烧过程的影响，尤其是C5+C1反应通道对呋喃类燃料燃烧产物中芳香烃的影响，完善呋喃类燃料的燃烧反应机理，丰富呋喃类燃料的燃烧理论，并为呋喃类燃料的实际应用提供实验和理论依据。

呋喃类生物质燃料作为新型可再生燃料，在缓解能源短缺，保护环境方面具有独特的优势，因此其燃烧特性得到了广泛研究。本项目从实验和理论上研究了呋喃类燃料的燃烧过程，主要包括2-甲基呋喃，2-乙基呋喃，2-糠酸甲酯，2-乙酰基呋喃和糠醛等的燃烧特性。实验方面主要借助同步辐射真空紫外电离质谱结合超声分子束取样技术和气相色谱在流动反应器和射流搅拌反应器中检测和测量了这些燃料的热解和低温氧化中间产物。基于理论计算，获得了呋喃类燃料的关键反应路径的速率常数，对于结构复杂的燃烧中间产物，采用类比的方法估算了其速率常数，建立了动力学模型并通过实验进行了验证。.本研究完善了呋喃类燃料的燃烧反应机理，丰富了呋喃类燃料的燃烧理论，阐明了呋喃类的支链结构对其燃烧特性的影响规律。这些工作为呋喃类燃料的实际应用提供了系统完备的实验依据和坚实的理论基础。项目资助发表SCI论文8篇，审稿中论文2篇，培养博士研究生2名，硕士研究生10名，其中6名已经取得硕士学位。项目投入经费60万元，支出47.4706万元，各项支出基本与预算相符。项目剩余经费12.5294万元，剩余经费计划用于本项目研究后续支出。