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

PI：Dauenhauer，Paul和W. James Pfaendtner机构：马萨诸塞州大学和华盛顿大学提案编号：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表征这项工作的重点是解决可持续生物炼制的发展，采用大规模生物质热解燃料和化学品的基本障碍。生物质热解是一种很有吸引力的强化木质生物质储能的方法。目前还缺乏关于如何在工业规模上使用这项技术的知识。由Paul Dauenhauer博士（马萨诸塞大学）和Jim Pfaendtner博士（华盛顿大学）组成的合作研究团队将使用统一的理论和实验方法来创建和利用复杂的反应网络，这些网络机械地描述了将纤维素转化为有用燃料的关键热解步骤。该EAGER赠款用于该项目的第一阶段，以进行与反应堆设计和表征相关的初步实验研究。初步的模拟研究也将进行。研究将根据两个目标进行，系统地解决与理解纤维素热解中间物理相的重要性有关的假设。目的一是建立一套实验装置，为纤维素中间液相的研究提供一个可控的实验环境。将使用左旋葡聚糖作为纤维素的模型组分进行初步实验研究。第二个目标是利用实验结果对左旋葡聚糖热解的自动生成机制进行初步研究。自动化机制生成框架将适应纤维素化学，并用于确定未来的研究优先事项。智力优点这项工作将开发一个系统的方法，合成实验和理论的发展生物质热解模型。这些模型是必不可少的生物炼制的设计和放大，并提供有关生物质热解的整体工艺经济和环境影响的定量信息。这项工作具有巨大的潜力，可以帮助美国走向可持续能源独立。更广泛的影响来自华盛顿大学的PI将邀请一名REU暑期学生参与一些初步模拟。此外，本研究的主要结果发展成一个高级本科课程的反应工程计划。最后，任何公布的研究最终模型将提供给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.