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

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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.