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

项目负责人：Biernacki， Joseph / Ley， M. tyler提案编号：1337033 /1336445机构：田纳西理工大学/俄克拉荷马州立大学标题：合作研究：可持续生物质原料热解的多尺度环境和动力学研究提出了生物质热解动力学和社会经济影响的多尺度跨学科研究。这项研究将汇集五个学科；化学与土木工程，化学，社会学和农业。大多数实验技术侧重于中尺度（毫克）或更大数量的原料，而大多忽略了样品的外部和内部运输条件。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。结合生产单个生物质微球的技术，pi提出利用MVCVR独立控制粒子相关（粒子内）和均质相关（粒子外）的输运现象和相关反应，从而使独立观察这两个过程成为可能。提出了一系列实验，其中模型化合物（例如左旋葡聚糖和其他碳水化合物），分离组分（例如纤维素，半纤维素和木质素）和整个生物质进行了研究，以了解热解在缩合相中间体和均相气相中发生的程度。pi还提出了一种新的基于动态元胞自动机（KCA）的多尺度建模平台，并证明了这种鲁棒建模策略在模拟生物质热解过程中微观结构演变的适用性。分子尺度的计算策略将并行使用，以补充实验和验证机制假设，以扩大到KCA。在这项研究中收集的数据将有助于科学和工程的进步，目前正在全球范围内寻求扩大生物燃料工业和相关技术的发展，直接热化学转化生物质到液体燃料（BTL）和化学品。这些将是明天的元素？目前处于试点和示范阶段的5个综合生物精炼厂（同一屋檐下的生化和热化学转化）。因此，建议的工作将侧重于热解来自农业投入需求和残留物显著减少的作物的整个生物质，以避免与玉米和油籽等农业需求高的粮食作物竞争。pi将整合社会经济学的要素，并提供独特的博士体验，这将大大扩大这一努力的影响。pi还将包括本科生，作为关键路径上研究团队的组成部分。该项目的一个主要目标是与田纳西州中部的农业社区沟通并收集信息。拟议研究的这一要素侧重于记录和理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。收集的信息包括：当地的耕地面积、常见的耕作方式、种植的作物类型、作物残茬数量，以及农民是否愿意种植专用能源作物（如柳枝稷）、使用质量差的作物进行能源转换，或者他们是否愿意参与。这种活动的广泛影响，虽然是区域性的，但对可持续生物燃料产业的整体成功至关重要。要实现从化石资源经济向生物资源经济的转变，一个消息灵通、受过良好教育的公众是至关重要的。基于生物裂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.