SusChEM: Collaborative Research: A Multi-Scale Environmental and Kinetics Study on the Pyrolysis of Sustainable Biomass Feedstock

PI：Biernacki，Joseph / Ley，M.泰勒提案编号：1337033 /1336445机构：田纳西理工大学/俄克拉荷马州州立大学标题：合作研究：一个多尺度的环境和动力学研究的热解可持续生物质原料一个多尺度，跨学科研究的动力学和社会经济更广泛的影响生物质热解提出。这项研究将汇集五个学科;化学和土木工程，化学，社会学和农业。大多数实验技术侧重于中尺度（mg）或更大数量的原材料，大多忽略了样品的外部和内部传输条件。 PI提出了一种独特的实验技术，并引入了多变量控制体积反应器（MVCVR）的概念。 结合用于生产生物质的单个微球的技术，PI提出利用MVCVR来独立地控制颗粒相关的（颗粒内）和均相相关的（颗粒外）传输现象和相关反应，从而使得可以独立地观察这两个过程。提出了一系列的实验，其中模型化合物（例如左旋葡聚糖和其他碳水化合物），分离的组分（即纤维素，半纤维素，和木质素）和整个生物质进行了研究，以了解在何种程度上发生热解内凝聚相中间体和均相气相。PI还建议引入一种新的基于动力学元胞自动机（KCA）的多尺度建模平台，并证明这种稳健的建模策略在模拟热解生物质微观结构演变中的适用性。分子尺度的计算策略将被并行使用，以补充实验和验证放大到KCA.The在这项研究中收集的数据将有助于科学和工程的进步，目前正在寻求全球不断扩大的生物燃料工业和相关技术的发展，生物质直接热化学转化为液体燃料（BTL）和化学品。这就是明天的元素吗？该公司的综合生物精炼厂（在同一屋檐下进行生物化学和热化学转化）目前处于试验和示范阶段。由于这个原因，拟议的工作将集中在整个生物质的热解从农作物与显着减少农业投入的要求和残留物，以便不与农业需求的粮食作物，如玉米和油籽竞争。PI将整合社会经济学的元素，并提供一个独特的博士经验，将大大扩大这一努力的影响。 PI还将包括大学生作为研究团队的一个组成部分，沿着关键路径。该项目的一个主要目标是与田纳西州中部的农业社区进行沟通，并从那里收集信息。拟议研究的这一要素侧重于记录和了解农业社区对分配当地农田种植能源作物的可能性的看法。信息例如：当地耕地的数量，耕作方面的常见耕作方法，种植的作物类型，作物残留物的数量，以及农民是否愿意种植专用能源作物（例如，柳枝稷），利用他们的劣质作物进行能源转换，或者他们是否愿意参与，将被收集。这种活动的广泛影响虽然是区域性的，但对于可持续生物燃料行业的全面成功至关重要。要实现从化石资源经济向生物资源经济的转变，信息灵通和受过教育的公众至关重要。基于生物热解的燃料和化学品研究为垂直整合的教育活动提供了许多独特的机会。

PI: Biernacki, Joseph / Ley, M. TylerProposal Number: 1337033 /1336445Institution: Tennessee Technological University/ Oklahoma State UniversityTitle: Collaborative Research: A Multi-Scale Environmental and Kinetics Study on the Pyrolysis of Sustainable Biomass FeedstockA multi-scale, interdisciplinary study on the kinetics and socio-economic broader impacts of biomass pyrolysis is proposed. This research will bring together five disciplines; Chemical and Civil Engineering, Chemistry, Sociology and Agriculture. Most experimental techniques focus on meso-scale (mg) or larger quantities of raw material and mostly ignore external and internal transport conditions of the sample. The PIs propose a unique experimental technique and to introduce a Multiple Variable Control Volume Reactor (MVCVR) concept. In combination with technology for producing individual micro-spheres of biomass, the PIs propose to utilize the MVCVR to independently control the particle-related (intra-particle) and homogenous- related (extra-particle) transport phenomena and associated reactions, thereby making it possible to independently observe the two processes. A series of experiments are proposed wherein model compounds (e.g. levoglucosan and other carbohydrates), separated components (i.e. cellulose, hemicellulose, and lignin) and whole biomass are studied in an effort to understand the extent to which pyrolysis occurs within condensed phase intermediates and the homogeneous gas phase. The PIs also propose to introduce a new multi-scale modeling platform based on kinetic cellular automaton (KCA) and to demonstrate the applicability of this robust modeling strategy for simulating microstructure evolution in pyrolyzing biomass. Molecular-scale computational strategies will be used in parallel to supplement experiments and validate mechanistic hypotheses for up-scaling to KCA.The data collected in this research will contribute to the scientific and engineering advancements currently being sought globally for the expanding biofuels industry and development of associated technology for direct thermochemical conversion of biomass-to-liquid fuels (BTL) and chemicals. Such will be elements of tomorrow?s integrated biorefineries (biochemical and thermochemical conversion under one roof) currently at the pilot and demonstration stages. For this reason the proposed work will focus on pyrolysis of whole biomass from crops with significantly reduced agricultural input requirements and residues, so as not to compete with agriculturally demanding food crops, such as corn and oilseeds.The PIs will integrate elements of socio-economics and to provide a unique PhD experience that will greatly broaden the impact of this effort. The PIs also will include undergraduates as an integral part of the research team along the critical path. A major goal of the project is to communicate with, and gather information from, farming communities in central Tennessee. This element of the proposed research focuses on documenting and understanding the perceptions of the farming community regarding the possibility of allocating local farmland for growing energy crops. Information such as: amount of local farming land, common farming practices in terms of tillage, type of crops grown, amount of crop residues, and whether farmers are willing to grow dedicated energy crops (e.g., switchgrass), use their poor-quality crops for energy conversion, or whether they are willing to participate at all, will be gathered. The broader impacts of such an activity, while regionally-specific, are fundamental for the overall success of a sustainable biofuels industry. For the transition from a fossil resource- to a bio resource-based economy to happen, a well-informed and educated public is critical. Biopyrolysis-based fuels and chemicals research provides many unique opportunities for vertically integrated educational activities.