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

这个由化学和生物分离计划授予的NSF奖项支持堪萨斯州立大学的克里斯塔·沃尔顿教授的工作，他的工作揭示了设计和合成下一代多功能多孔材料所需的基本知识，这些材料具有吸附应用的特定分子特性。金属有机骨架(MOF)代表了多孔材料研究的一个新方向，可能导致设计人员专用材料的创造。丰富的配位化学领域提供了一个通用的平台，在这个平台上，这些材料可以使用几乎无限的一组构建块来组装。这项职业奖是一个综合性的研究和教育计划，旨在实现多孔材料研究的革命性进展。这项工作的目标是探索MOF作为一种新型的多孔结构的可能性，这种结构可以通过化学官能化来获得特定的分子吸附性能。三个协同研究目标将推动这项工作：(1)合成一类新的基于三甲基甲酸官能化的金属-有机骨架，以生成具有疏水、碱性或酸性吸附中心的结构；(2)探索疏水、混合？]配体MOF中的多组分吸附和湿度效应；以及(3)使用分子模拟来揭示混合配体MOF中的基本吸附机制。这些材料尚不具备从这项工作中获得的基本知识。可以从这些信息中提取的吸附剂设计标准将在多孔材料设计方面取得重大进展。以前通过固态化学对多孔材料的研究进展主要是经验方式。这项工作将集中在探索控制新型多孔材料的物理结构和化学功能以实现靶向吸附性能的技术。这些发现的影响将通过各种跨学科的应用产生影响，包括氢气储存、特定部位的催化、吸附分离、药物输送装置和治疗涂层。教育计划的目标是培训纳米技术研究生和本科生，并通过提高K-6科学素养提高妇女在科学和工程领域的参与度。化学工程课程将通过开发一门新的纳米多孔材料研究生课程和一种新的固定床吸附计算工具来改进本科的传质课程。将与三个行业合作伙伴开发一个实地培训计划，为研究生提供其研究领域的社会背景，并让他们接触到工业环境中的重要研究问题。将为K-6教育制定一项K-6外联方案，特别强调增加妇女在STEM领域的参与。PI将开发一种新的多孔材料模块，通过妇女工程和科学计划和堪萨斯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来评估K-6教育计划的结果。研究结果将发表在教育期刊上。这项工作的成功完成将促进多孔材料合成方面的知识现状，并将为创造具有定向吸附性能的结构提供新的能力。这对基于吸附的技术的潜在影响是巨大的。预计会对吸附分离(二氧化碳/甲烷；烯烃/烷烃)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出色培训，并通过与行业的实地培训经验进行培训。结果将通过同行评议的期刊和会议传播。教育活动将为K-6纳米技术教育创造新的能力和资源。这项计划将提高这一年龄段的科学素养，并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.