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Elucidating Solvent Effects in Biomass Conversion Reactions by means of Operando Spectroscopy

通过操作光谱法阐明生物质转化反应中的溶剂效应

基本信息

批准号：
1705825
负责人：
George Tsilomelekis
金额：
$ 29.22万
依托单位：
Rutgers University New Brunswick
依托单位国家：
美国
项目类别：
Standard Grant
财政年份：
2017
资助国家：
美国
起止时间：
2017-09-01 至 2022-08-31
项目状态：
已结题

来源：
https://www.nsf.gov/awardsearch/showAward?AWD_ID=1705825&HistoricalAwards=false
关键词：
Elucidating Solvent Effects Biomass Conversion

项目摘要

The research aims at elucidating the underlying principles behind solvation effects that govern the reaction rates, selectivity and stability of catalysts in biomass conversion reactions. The interest in understanding solvation effects during biomass processing arises from the fact that the conversion of highly reactive and functionalized molecules, such as biomass derived intermediates, can be influenced by the solvent surrounding the homogeneous and/or heterogeneous active site(s). The complexity of these systems demands a paradigm shift and a transformative approach towards greater flexibility, where catalysts and solvents are studied simultaneously in one single optical reactor in a time- and spatially-resolved manner under realistic operating conditions. The proposed integrated framework focuses on the glucose isomerization reaction, which is considered the major bottleneck in the catalytic conversion of cellulosic biomass to biofuels and chemicals. The development of this framework can render solvent and catalyst selection rational and predictable and will have a tremendous impact on various disciplines and industries.The main research objective of this project is to investigate the active site(s) in a catalyst and elucidate the underlying mechanisms in biomass reactions by means of operando spectroscopy. The proposal aims to address the fundamental challenges associated with implementing the concept of catalytic bio-refineries. Despite their profound effect on catalyst performance, solvent-solute-catalyst interactions are currently poorly understood. The proposed work will focus on the design and development of a versatile prototype multi-spectroscopic optical cell-reactor that allows the generation of catalytic performance data similar to those achieved with conventional catalytic liquid phase reactors. This reactor will be utilized to study glucose isomerization reaction under real working conditions by coupling, for the first time in biomass processing, Reaction Induced Difference Infrared Spectroscopy (RIDIS) and Raman spectroscopy. The proposed research may provide molecular-level information on structure-function relationships in biomass conversion reactions. The proposed integration of research and education aims at creating an intellectually stimulating environment for training students on catalysis ad reaction engineering. The proposed outreach plan is targeting students from diverse backgrounds and underrepresented populations in STEM fields.

这项研究旨在阐明溶剂化效应背后的潜在原理，这些效应控制着生物质转化反应中催化剂的反应速度、选择性和稳定性。人们之所以有兴趣了解生物质加工过程中的溶剂化效应，是因为生物质衍生中间体等高活性和官能化分子的转化会受到均相和/或非均相活性中心周围的溶剂的影响(S)。这些体系的复杂性要求进行范式转换和变革性的方法，以获得更大的灵活性，在现实操作条件下，在一个单一的光学反应器中以时间和空间分辨的方式同时研究催化剂和溶剂。拟议的综合框架侧重于葡萄糖异构化反应，该反应被认为是纤维素生物质催化转化为生物燃料和化学品的主要瓶颈。该框架的开发可以使溶剂和催化剂的选择变得合理和可预测，并将对各个学科和行业产生巨大的影响。本项目的主要研究目标是通过操作手光谱研究催化剂中的活性中心(S)，并阐明生物质反应中的潜在机理。该提案旨在解决与实施催化生物精炼概念相关的根本挑战。尽管它们对催化剂的性能有深远的影响，但目前对溶剂-溶质-催化剂的相互作用知之甚少。拟议的工作将侧重于设计和开发一种多功能的多光谱光学电池-反应器原型，该反应器能够产生类似于传统催化液相反应器所获得的催化性能数据。该反应器首次将反应诱导差分红外光谱(RIDIS)与拉曼光谱相结合，用于研究实际工作条件下的葡萄糖异构化反应。建议的研究可能提供生物质转化反应中结构-功能关系的分子水平信息。建议的研究和教育整合旨在创造一个激发智力的环境，以培养学生在催化和反应工程方面的能力。拟议的外展计划针对STEM领域来自不同背景和代表性不足的人群。