CAREER: Toward the Rational Design of Multifunctional Nanomaterials: Synthesis and Characterization of Nanostructured Metal-Organic Frameworks

0846781沃尔顿化学和生物分离计划的NSF奖项支持堪萨斯州立大学的Krista Walton教授的工作，以揭示设计和合成下一代多功能多孔材料所需的基础知识，这些材料具有吸附应用的分子特异性。金属有机框架（MOFs）代表了多孔材料研究的一个新方向，可能会导致设计师特定材料的创建。丰富的配位化学领域提供了一个多功能的平台，在这个平台上，这些材料可以使用几乎无限的构建模块来组装。该CAREER奖项旨在为多孔材料研究提供一个综合的研究和教育计划，以实现变革性进展。这项工作的目标是探索MOFs作为新型多孔结构的可能性，这些结构可以通过化学官能化来实现分子特异性吸附性能。三个协同研究目标将推动这项工作：（1）合成一个新的家庭的金属有机框架的基础上功能化的均苯三甲酸，以产生结构与疏水，碱性，或酸性吸附位点，（2）探索多组分吸附和湿度的影响，在一个疏水，混合？配体MOF，和（3）采用分子建模，以揭示在混合配体MOF的基本吸附机制。从这项工作中获得的基本知识对于这些材料来说还不存在。吸附剂的设计标准，可以从这些信息中提取将提供一个重大的进步多孔材料design.Previous进展多孔材料通过固态化学进行了很大程度上是经验的方式。这项工作将侧重于探索控制新型多孔材料的物理结构和化学功能以实现目标吸附性能的技术。这些发现的影响将通过各种跨学科的应用，包括储氢，特定位点的催化，吸附分离，药物输送装置和治疗涂层。该教育计划的目标是培训纳米技术方面的研究生和本科生，并通过提高K-6科学素养来提高妇女对科学和工程的参与。化学工程课程将通过开发纳米多孔材料的新研究生课程和新的固定床吸附计算工具来改进，以增强本科传质课程。将开发与三个工业合作伙伴的实地培训计划，为研究生提供他们研究领域的社会背景，并使他们在工业环境中接触重要的研究问题。将为K-6教育制定K-6外联方案，特别强调增加妇女在STEM领域的参与。PI将开发一个新的多孔材料模块，通过工程和科学项目中的妇女和堪萨斯4-H俱乐部与当地小学进行互动。项目视频和活动方法将上传到YouTube和各种K-6教师资源网站，以便更广泛地传播。 将开发新的评估工具，以评估K-6教育计划的成果。研究结果将发表在教育期刊上。这项工作的成功完成将推进多孔材料合成的知识现状，并将为创建具有目标吸附性能的结构提供新的能力。对吸附技术的潜在影响是巨大的。预计会对吸附分离（CO2/甲烷;烯烃/石蜡）产生直接影响。研究生和本科生研究人员将在PI的实验室接受纳米材料和吸附方面的优秀培训，并通过行业现场培训经验。研究结果将通过同行评审的期刊和会议进行传播。教育活动将为K-6教育创造新的能力和资源。该方案将提高这一年龄组的科学素养，促进妇女参与科学和工程。

0846781WaltonThis NSF award by the Chemical and Biological Separations program supports work by Professor Krista Walton at Kansas State University to uncover the fundamental knowledge required to design and synthesize next-generation multifunctional, porous materials with molecule-specific properties for adsorption applications. Metal-organic frameworks (MOFs) represent a new direction in porous materials research that could lead to the creation of designer-specific materials. The rich field of coordination chemistry provides a versatile platform on which these materials may be assembled using an almost infinite set of building blocks. This CAREER award presents an integrated research and education plan for achieving transformative advances in porous materials research.The goal of this work is to explore the possibilities of MOFs as novel porous structures that can be chemically functionalized to attain molecule-specific adsorption properties. Three synergistic research objectives will drive this work: (1) synthesize a new family of metal-organic frameworks based on functionalization of trimesic acid to yield structures with hydrophobic, basic, or acidic adsorption sites, (2) explore multi-component adsorption and humidity effects in a hydrophobic, mixed?]ligand MOF, and (3) employ molecular modeling to uncover fundamental adsorption mechanisms in a mixed-ligand MOF. The fundamental knowledge to be gained from this work does not yet exist for these materials. The sorbent design criteria that can be extracted from this information will provide a major advance in porous materials design.Previous advances in porous materials through solid state chemistry have proceeded in a largely empirical fashion. This work will focus on exploring techniques to control the physical structure and chemical functionality of novel porous materials to achieve targeted adsorption properties. The impact of these findings will reverberate through various interdisciplinary applications including hydrogen storage, site-specific catalysis, adsorptive separations, drug delivery devices, and therapeutic coatings. The objectives of the education plan are to train graduate and undergraduate students in nanotechnology and improve involvement of women in science and engineering by increasing K-6 scientific literacy. Chemical engineering curriculum will be improved by development of a new graduate course in nanoporous materials and a new fixed-bed adsorption computational tool to enhance the undergraduate mass transfer course. A field-training program with three industrial partners will be developed to provide graduate students with societal context for their research area and expose them to important research problems in an industrial setting. A K-6 outreach program will be developed for K-6 education, with a specific emphasis on increasing the participation of women in STEM fields. The PI will develop a new porous materials module for interaction with local elementary schools through both the Women in Engineering and Science Program and Kansas 4-H Club. Project videos and activity methods will be uploaded to YouTube and various K-6 teacher resource websites for broader dissemination. Novel assessment tools will be developed for evaluating outcomes of the K-6 education plan. Results will be published in educational journals.Successful completion of this work will advance the current state of knowledge in porous materials synthesis and will provide new capabilities for creating structures with targeted adsorption properties. The potential impact on adsorption-based technologies is great. A direct impact on adsorption separations (CO2/methane; olefins/paraffins) is expected. Graduate and undergraduate researchers will receive excellent training in nanomaterials and adsorption in the PI's lab and through field-training experiences with industry. Results will be disseminated through peer-reviewed journals and conferences. Educational activities will create new capabilities and resources for K-6 education in nanotechnology. This program will improve the scientific literacy of this age group and boost involvement of women in science and engineering.