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.

在诺克斯维尔田纳西大学化学系化学催化项目的支持下，诺克斯维尔田纳西大学的 Siris Laursen 正在开发廉价的、地球储量丰富的催化剂，用于生物质热解和生物柴油生产中废物的增值。完全集成的生物精炼厂的未来取决于将生物质的所有部分高效且选择性地转化为增值化合物。 Laursen 博士和他的团队正在研究非贵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废水流中选择性地形成二醇和烯烃（化学结构单元）。这些催化剂将进行调整，以提供更高的从废物中去除氧原子的活性、更低的碳-碳键断裂活性以及更低的烯烃加氢活性。同时，人们正在发展对催化剂的组成-活性关系的一般理解，以提高预测性能，加速催化剂的发现，并提高催化剂的可持续性。该研究项目预计将影响 K-12、本科生和研究生教育，通过暑期体验将学生直接纳入研究小组，打造一支受过良好教育的劳动力队伍，支持新型可再生化学品行业。机构计划被用来支持这些经验的包容性，并确定哪些学生可以从这些活动中受益最多。非贵金属间化合物是由过渡金属和后过渡金属或半金属组成的有序固体，具有良好的性能用于将甘油部分或完全脱氧为1,2-丙二醇和丙烯。 Siris Laursen 和他的研究小组正在利用量子化学表面反应模型和实验研究相结合来确定这些成分复杂的催化剂的成分-活性关系，并加速发现可以从多元醇生产有价值化学品的材料。正在确定促进多元醇中部分和完全脱氧以生产有价值的二醇和烯烃的特定表面化学范围。同样，也注意到表现出更具侵蚀性的表面化学性质以驱动多元醇完全分解以产生氢气(H 2 )和CO的催化剂组合物。通过在原子和电子水平上了解金属间化合物特殊表面化学的起源，Laursen 博士和他的学生正在致力于为非贵金属催化剂开发简单的基本设计规则，这些催化剂可用于广泛的化学转化仍缺乏高效的催化材料。此外，通过整合研究和教育，该项目正在促进对未来科学家的多样化群体的教育，并为生物精炼行业培养一支受过教育的劳动力队伍。该奖项反映了 NSF 的法定使命，并通过使用基金会的智力评估进行评估，认为值得支持。优点和更广泛的影响审查标准。