GOALI: Development and Applications of Multidimensional NMR Methods in Polymer Science

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This proposal is for a project to develop advanced multidimensional nuclear magnet resonance (NMR) experiments, and to apply these methods to the characterization of commercially important polymers. For the past decade, triple resonance three dimensional (3D) NMR methods have been enormously valuable for studying the structures of biological macromolecules. The use of these methods in polymer science is relatively new. Recently, triple resonance 3D-NMR correlation experiments relating the shifts of 1-H, 13-C and a third NMR active nucleus X (where W is 19-F, 31-P, 29-Si, or 119-Sn) have been described. However, many commercially important polymeric materials are hydrocarbon based (i.e., they contain only 1-H and 13-C NMR active nuclei). The need for NMR methodology to study these materials is clear. The purpose of this project is to develop a site of multidimensional NMR experiments tailored to the characterization of hydrocarbon-based synthetic polymers. These experiments will be applied to the characterization of the microstructures in commercially important copolymers and terpolymers of ethylene with a-olefins methyl methacrylate, methacrylic acid, butyl methacrylate and/or carbon monoxide. This structure information will be used to gain insight into the nature of initiation, termination, rearrangement and branch-forming reactions in the polymer.The project involves the combined use of existing unique resources, worth more than $15 million, at the academic and industrial partner institutions. It will provide new analytical methods which will be valuable to polymer researchers who must characterize the structures of new materials. The information obtained from the analysis of the specific polymers in this project will be useful to polymer engineers who will use the structure information to develop engineering models for plant processes. This knowledge will aid in the development of new materials, help to improve the properties of existing manufactured materials, and contribute to the development of improvement polymer manufacturing processes. In the long-term, the information and methodology obtained from this proposal will be of general use in the materials science industry.