Microreaction Engineering of Aqueous Phase Metal Catalyzed Reactions

摘要/ abstract摘要：Hartman， Ryan l .研究机构：阿拉巴马大学塔斯卡卢萨提案号：1264630标题：水相金属催化反应的微反应工程知识价值使用水作为反应溶剂有可能影响特种化学品的可持续、连续生产。成功地设计这样的过程需要克服一些挑战，包括1)管理固体的形成，作为反应器表面上的非共价键材料（例如，垢沉积），2)设计有效的催化剂，利用对控制合成转化的基本机制的理解，3)创新新型反应器，有效地偶联组成精细化工生产中间体的芳烃，4)分析与实验室合成工具的集成，用于在线反应发现和优化。本研究将解决这四个挑战中的每一个。pi计划与共聚焦拉曼显微镜的微反应器的工程和集成，其中钯催化的亲水性配体的C-H功能化反应的内在动力学和机理知识将在没有运输限制的情况下提供。在精细化工生产中，亲水性配体的使用，以及水作为反应溶剂的使用，为生产有用化合物的绿色途径提供了机会。pi将结合反应器设计原则、分析化学和合成方法，旨在开发一个平台，该平台可用于以水作为反应溶剂连续合成精细化学中间体。使能技术将结合以下概念：(i)微反应器技术，（ii）设计用于合成有机反应的亲水性配体，（iii）用于反应监测的非侵入性分析技术，以及（iv）涉及反应和分离的多步骤微化学合成。如果成功，所产生的知识将促进可持续化学过程设计的新范例：使用水作为溶剂来制造精细化学品。本研究旨在建立对利用水作为溶剂的合成途径的反应器和工艺设计的基本理解。这种理解将以可持续的方式推进合成特种化学品的化学过程。本科生和研究生将从这项工作中受益，通过反应工程课程的发展和本科生研究机会为代表性不足的群体。此外，学生K-12+将通过南加州大学和阿拉巴马大学之间的本科生竞赛，参与在线YouTube视频的创作，旨在将先进的化学和反应堆设计概念、现实世界的工程问题和流行文化结合起来。这项工作还将通过与波尔多凝聚态化学研究所（ICMCB）的合作，使研究生接触到国际研究经验。这些教育组成部分将加强阿拉巴马大学的本科工程教育，培养K-12学生对工程职业的早期兴趣，并为研究生提供获得国际曝光的独特机会。

ABSTRACTPI: Hartman, Ryan L.Institutions: University of Alabama TuscaloosaProposal Number: 1264630Title: Microreaction Engineering of Aqueous Phase Metal Catalyzed ReactionsIntellectual Merit The use of water as a reaction solvent has the potential to impact the sustainable, continuous flow manufacturing of specialty chemicals. Successfully engineering such processes require the ability to overcome some challenges, including 1) management of the formation of solids as non-covalently bonded materials on reactor surfaces (e.g., scale deposition), 2) design of efficient catalysts using understanding of the fundamental mechanisms that govern synthetic transformations, 3) innovation of novel reactors that efficiently couple the aromatics that make-up intermediates in fine chemical production, and 4) integration of analytics with laboratory synthesis tools for online reaction discovery and optimization. This research will address each of these four challenges. The PIs plan the engineering and integration of microreactors with confocal Raman microscopy, where the intrinsic kinetic and mechanistic knowledge of palladium-catalyzed C-H functionalization reactions with hydrophilic ligands will be made available in the absence of transport limitations. The use of hydrophilic ligands, and hence water as a reaction solvent, in fine chemical manufacturing presents the opportunity for greener pathways to useful compounds. The PIs will combine reactor design principles, analytical chemistry, and synthetic methodologies aimed at developing a platform, which can be used to continuously synthesize fine chemical intermediates with water as a reaction solvent. The enabling technology will combine concepts of (i) microreactor technology, (ii) the design of hydrophilic ligands for synthetic organic reactions, (iii) non-invasive analytical techniques for reaction monitoring, and (iv) multi-step microchemical synthesis involving reactions and separations. If successful, the knowledge generated will foster a new paradigm of sustainable chemical process design: the use of water as a solvent to manufacture fine chemicals.Broader Impacts This research seeks to establish fundamental understanding of reactor and process design of synthetic pathways that utilize water as a solvent. This understanding will advance chemical processes that synthesize specialty chemicals, in a sustainable way. Undergraduate and graduate students will benefit from this work through the evolution of the reaction engineering curricula and undergraduate research opportunities for underrepresented groups. Furthermore, students K-12+ will be engaged by the creation of online YouTube videos through an undergraduate competition between the University of Southern California and the University of Alabama aimed at the interfacing of advanced chemistry and reactor design concepts, real world engineering problems, and pop culture. The work will also expose graduate students to international research experiences through collaboration with the Institute of Condensed Matter Chemistry Bordeaux (ICMCB). These educational components will strengthen the undergraduate engineering education at the University of Alabama, foster early interest in engineering careers from K-12 students, and provide unique opportunities for graduate students to gain international exposure.