EAGER: COLLABORATIVE RESEARCH: Pyrolysis of Cellulose Intermediate Liquids: Automated Mechanism Development and Experimental Characterization

PI：Dauenhauer，Paul和W.James Pfaendtner研究所：马萨诸塞州大学和华盛顿大学建议编号：1065810和1066026标题：合作研究：纤维素中间液体的热解：自动化机制开发和实验特征这项工作专注于解决可持续生物炼油厂发展中的根本障碍，这种可持续的生物炼油厂使用大规模生物质热解作为燃料和化学品。生物质热解是强化木质生物质储能的一种有吸引力的方法。缺乏关于如何将这项技术应用于工业规模的知识。由Paul Dauenhauer博士(马萨诸塞州大学)和Jim Pfaendtner博士(UW大学)组成的合作研究团队将使用统一的理论和实验方法创建和利用复杂的反应网络，从机械上描述将纤维素转化为有用燃料的关键热解步骤。这笔急切的赠款用于该项目的第一阶段，以进行与反应堆设计和特性有关的初步实验研究。还将进行初步的模拟研究。这项研究将根据两个目标进行，这两个目标系统地解决了与了解纤维素热解中间物理相的重要性有关的假设。目的一是为构建实验装置提供支持，为研究中间体纤维素液相提供良好的实验环境。初步的实验研究将使用左旋葡聚糖作为纤维素的模型组分。第二个目标将利用实验结果对左旋葡聚糖热裂解的自动生成机理进行初步研究。自动机理生成框架将适用于纤维素化学，并用于确定未来的研究重点。这项工作将为开发生物质热解模型开发一种综合实验和理论的系统方法。这些模型对于生物精炼厂的设计和放大以及提供有关生物质热解的整个过程经济和环境影响的定量信息是必不可少的。这项工作对帮助美国走向可持续能源独立具有巨大的潜力。来自威斯康星州的Broader Impact将邀请一名来自REU的暑期学生进行一些初步模拟。此外，还计划将这项研究的主要发现发展为反应工程方面的高级本科课程。最后，这项研究产生的任何已发表的最终模型将提供给普通公众和其他研究小组。

PI: Dauenhauer, Paul and W. James Pfaendtner Institution: University of Massachusetts and University of WashingtonProposal Numbers: 1065810 and 1066026Title: COLLABORATIVE RESEARCH: Pyrolysis of Cellulose Intermediate Liquids: Automated Mechanism Development and Experimental CharacterizationThis work focuses on addressing fundamental obstacles in the development of sustainable biorefineries that employ large-scale biomass pyrolysis for fuels and chemicals. Biomass pyrolysis is an attractive means for intensification of stored energy in woody biomass. Knowledge is lacking on how to employ this technology on an industrial scale. A collaborative research team consisting of Dr. Paul Dauenhauer (UMass) and Dr. Jim Pfaendtner (UW) will use a unified theoretical and experimental approach to create and harness complex reaction networks that mechanistically describe the key pyrolysis steps in converting cellulose to useful fuel. This EAGER grant is for the first phase of the project to conduct preliminary experimental studies related to the reactor design and characterization. Preliminary modeling studies will also be performed.The research will proceed according to two objectives that systematically address the hypotheses related to the importance of understanding intermediate physical phases in cellulose pyrolysis. Objective one will provide support to construct an experimental apparatus to provide a well-controlled experimental environment for studying intermediate cellulose liquid phases. Preliminary experimental studies will be performed using levoglucosan as a model component of cellulose. The second objective will use the results from the experimental effort to perform preliminary studies in automated mechanism generation of levoglucosan pyrolysis. The automated mechanism generation framework will be adapted to cellulose chemistry and used to identify future research priorities.Intellectual Merit This work will develop a systematic approach synthesizing experiments and theory for the development of biomass pyrolysis models. These models are essential for the design and scaleup of biorefineries and to provide quantitative information on the overall process economics and environmental impact of biomass pyrolysis. This work has significant potential for helping the US move toward sustainable energy independence.Broader Impacts The PI from UW will involve a summer REU student in performing some of the preliminary simulations. Additionally, a plan for development of the key findings of this research into a senior undergraduate course on reaction engineering is planned. Finally, any published final models resulting from the research will be made available to the general public and other research groups.