NSF-DFG Echem: Future Fuels and Chemicals from Electrocatalytic Upgrading: Advancing Kinetic Understanding using Operando Spectroscopic Approaches and Quantum Chemicial modeling

NSF-DFG Echem：电催化升级的未来燃料和化学品：使用操作光谱方法和量子化学建模促进动力学理解

• 批准号: 460534473
• 负责人: Professor Dr. Uwe Schröder
• 金额: --
• 依托单位: Institut für Biochemie
• 依托单位国家: 德国
• 项目类别: Research Grants
• 资助国家: 德国
• 项目状态: 未结题
• 来源: https://gepris.dfg.de/gepris/projekt/460534473?language=en
• 关键词: NSF; DFG; Echem; Future; Fuels

This project’s focus is the electrocatalytic hydrogenation and deoxygenation (ECH) of fast pyrolysis (Py) bio-oils for the purpose of making chemical and hydrocarbon fuel precursors. The U.S.-German collaboration is between Prof.’s Christopher Saffron, James “Ned” Jackson, and Scott Calabrese Barton at Michigan State University (MSU) in East Lansing, Michigan and Prof. Uwe Schröder at the Technische Universität Braunschweig (TUB) in Lower Saxony, Germany. Relevant activities include organic electrosynthesis, catalyst evaluation by in operando techniques, quantum chemical modeling, reaction engineering and reactor design leading to fundamental knowledge supporting system scale-up. With further development of this technology, making “finished” hydrocarbon fuels is possible, leading towards rural production of electrobiofuels. Electrobiofuels are fuels that couple the energy from two renewable routes: biomass and alternative electricity (e.g. wind and solar). Electrobiofuels are needed to reverse the negative impacts of climate change, as only systems like Py-ECH are designed to efficiently cycle the carbon in the 1.3 billion tons of plant biomass that could be annually harvested in the U.S. Intellectual Merit: Fast pyrolysis uses heat without oxygen to convert biomass into liquid bio-oil, solid biochar, and combustible gases. However, bio-oil’s corrosiveness and reactive instability limit its use in conventional fuel and chemical processes, so upgrading is needed to overcome these hurdles. ECH of bio-oil is a key upgrading technique to reduce its reactivity and corrosiveness and improve its compatibility with conventional manufacturing infrastructure. Previous research shows that carbon-carbon and carbon-oxygen double bonds, as well as de-localized pi bonds, are saturated during ECH. Further, these reactions occur under very mild reaction temperatures and pressures when compared to hydroprocessing. In this collaborative project between Michigan State University and Technische Universität Braunschweig, an advanced understanding of ECH reaction mechanisms will be gained through organic molecule electrocatalysis trials, in operando measurements, quantum chemical modeling, and kinetic model development. The new knowledge that is gained will be lead to improved reactor design and better de-risking of scale up for eventual commercialization of ECH as a bio-oil upgrading strategy.

该项目的重点是快速热解（Py）生物油的电催化加氢和脱氧（ECH），用于制造化学和碳氢化合物燃料前体。此次美德合作是由密歇根州东兰辛市密歇根州立大学（MSU）的Christopher Saffron、James“Ned”Jackson和Scott Calabrese Barton教授与德国下萨克森州Technische Universität Braunschweig （TUB）的Uwe Schröder教授共同完成的。相关活动包括有机电合成、催化剂评价、量子化学建模、反应工程和反应器设计，这些都是支持系统规模扩大的基础知识。随着这项技术的进一步发展，制造“成品”碳氢化合物燃料成为可能，从而导致农村生产电生物燃料。电生物燃料是将两种可再生能源结合起来的燃料：生物质能和替代电力（如风能和太阳能）。为了扭转气候变化的负面影响，需要电生物燃料，因为只有像Py-ECH这样的系统才能有效地循环美国每年可收获的13亿吨植物生物质中的碳。知识优点：快速热解利用热量无氧将生物质转化为液体生物油、固体生物炭和可燃气体。然而，生物油的腐蚀性和反应不稳定性限制了其在传统燃料和化学工艺中的应用，因此需要对其进行升级以克服这些障碍。生物油ECH是降低生物油反应性和腐蚀性、提高生物油与传统生产设施相容性的关键技术。先前的研究表明，碳-碳和碳-氧双键以及去定域pi键在ECH过程中是饱和的。此外，与加氢加工相比，这些反应发生在非常温和的反应温度和压力下。在密歇根州立大学和Technische Universität Braunschweig之间的这个合作项目中，将通过有机分子电催化试验、operando测量、量子化学建模和动力学模型开发来深入了解ECH反应机制。获得的新知识将导致改进反应器设计，并更好地降低规模风险，最终将ECH作为生物油升级战略的商业化。