CAS: Quantifying the Systematic Catalytic Surface Chemistry of Non-Noble Metal Intermetallic Compounds to Achieve Diol and Olefin Production in Polyol Deoxygenation Reactions

CAS：量化非贵金属金属间化合物的系统催化表面化学，以实现多元醇脱氧反应中二醇和烯烃的生产

• 批准号: 2155037
• 负责人: Siris Laursen
• 金额: $ 35.33万
• 依托单位: University of Tennessee Knoxville
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2022
• 资助国家: 美国
• 起止时间: 2022-08-01 至 2025-07-31
• 项目状态: 未结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=2155037&HistoricalAwards=false
• 关键词: CAS; Quantifying; Systematic; Catalytic; Surface

With the support of the Chemical Catalysis Program in the Division of Chemistry, Siris Laursen of the University of Tennessee, Knoxville is developing inexpensive, earth-abundant catalysts for the valorization of waste from biomass pyrolysis and bio-diesel production. The future of a fully integrated biorefinery is contingent upon the efficient and selective conversion of all parts of biomass to value-added compounds. Dr. Laursen and his team are studying non-noble metal intermetallic compounds as catalysts to selectively form diols and olefins (building block chemicals) from water waste streams generated during biomass processing. These catalysts will be tuned in an effort to provide greater activity for the removal of oxygen atoms from the waste products, lower activity for carbon-carbon bond fragmentation, and lower activity for olefin hydrogenation. Simultaneously, a general understanding of the composition-activity relationships of the catalysts is being developed to improve predictive performance, accelerate catalyst discovery, and advance catalyst sustainability. This research project is expected to impact K-12, undergraduate, and graduate education by integrating students directly into the research group through summer experiences to build an educated workforce to support new renewable chemicals industries. Institutional programs are being used to support the inclusivity of these experiences and to identify students who may benefit the most from these activities.Non-noble intermetallic compounds are compositionally ordered solids composed of transition metals and post-transition metals or semimetals that have exhibited promising properties for the partial or complete deoxygenation of glycerol to 1,2-propanediol and propene. Siris Laursen and his research group are utilizing a combination of quantum chemical surface reaction modeling and experimental investigations to determine the composition-activity relationships of these compositionally complex catalysts and accelerate the discovery of materials that can produce valuable chemicals from polyols. Specific ranges of surface chemistry that promote the partial and complete removal of oxygens from polyols to produce valuable diols and olefins are being determined. Likewise, catalyst compositions that exhibit more aggressive surface chemistry to drive the complete breakdown of polyols to produce hydrogen (H2) and CO are also being noted. By understanding the origin of the special surface chemistry of intermetallic compounds at the atomic and electronic levels, Dr. Laursen and his students are working to develop simple fundamental design rules for non-noble metal catalysts that may be used in a wide range of chemical transformations that still lack efficient catalytic materials. Moreover, by integrating research and education, this project is promoting the education of a diverse group of future scientists and building an educated workforce for the biorefinery sector.This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.

在化学催化计划中，田纳西大学的Siris Laursen的化学催化计划的支持，诺克斯维尔正在开发廉价的，丰富的地球催化剂，用于从生物质热解和生物柴油生产中产生的废物。完全集成的生物融资的未来取决于生物量的所有部分向增值化合物的有效转化。 Laursen博士和他的团队正在研究非拨金属金属间化合物作为催化剂，以从生物质加工过程中产生的水废水中有选择性地形成二醇和烯烃（基础化学物质）。这些催化剂将进行调整，以便为从废物中去除氧原子，碳碳键碎片的较低活性以及烯烃氢化的活性较低。同时，正在开发对催化剂的组成活性关系的一般理解，以提高预测性能，加速催化剂发现并提高催化剂的可持续性。预计该研究项目将通过夏季经验将学生直接纳入研究小组，以建立受过教育的劳动力，以支持新的可再生化学工业，从而影响K-12，本科和研究生教育。机构计划用于支持这些经验的包容性，并确定可能从这些活动中受益最大的学生。非金属间的化合物是由过渡金属和过渡后金属或半材料组成的构图有序的固体，这些金属或半材料具有对gly级或完全去氧化的glycecygerol to 1,2-元素和1,2-promaneed to 1,2-promanane to the Promist of Proptie的特性。 Siris Laursen及其研究小组正在利用量子化学表面反应建模和实验研究的组合来确定这些成分复杂的催化剂的组成活性关系，并加速发现可以从多元产生有价值化学物质的材料。正在确定从多元醇的部分和完全去除氧的表面化学范围，以产生有价值的二醇和烯烃。同样，还注意到表现出更具侵略性的表面化学性能以驱动多元醇的完全分解以产生氢（H2）和CO的催化剂组合物。通过了解原子和电子水平上金属间化合物的特殊表面化学的起源，Laursen博士和他的学生正在努力为非缺失金属催化剂制定简单的基本设计规则，这些催化剂可能在广泛的化学转化中使用，这些化学转化仍然缺乏有效的催化材料。此外，通过整合研究和教育，该项目正在促进一群未来科学家的教育，并为生物填补领域建立受过教育的劳动力。该奖项反映了NSF的法定任务，并被认为是值得通过基金会的知识分子优点和更广泛影响的审查标准来通过评估来获得支持的。